Fumaric acid
CAS Number: 110-17-8
Molecular Mass: 116.07 g/mol
Formula: C4H4O4
Smiles: O=C(O)/C=C/C(=O)O
Synonymes:
Fumaric acid, fumaric acid, 110-17-8, trans-Butenedioic acid, Allomaleic acid, Lichenic acid, Boletic acid, (2E)-but-2-enedioic acid, Tumaric acid, trans-1,2-Ethylenedicarboxylic acid, (E)-2-Butenedioic acid, Allomalenic acid, trans-2-Butenedioic acid, Fumaricum acidum, 2-Butenedioic acid, (E)-, Kyselina fumarova, (2E)-2-butenedioic acid, (E)-but-2-enedioic acid, USAF EK-P-583, Butenedioic acid, (E)-, FEMA No. 2488, NSC-2752, Allomaleic-acid, Boletic-acid, 2-Butenedioic acid (2E)-, trans-but-2-enedioic acid, U-1149, (E)-Butenedioic acid, INS NO.297, DTXSID3021518, INS-297, NSC2752, FC 33, 88XHZ13131, E297, DTXCID601518, E-297, CHEBI:18012, (E)-but-2-enedioate, hydron, (E)-1,2-Ethylenedicarboxylic acid, RefChem:5844, 203-743-0, Futrans-2-Butenedioic Acid, 2-Butenedioic acid (E)-, Caswell No. 465E, FEMA Number 2488, 2-(E)-Butenedioic acid, 1,2-Ethylenedicarboxylic acid, (E), CCRIS 1039, HSDB 710, 1,2-Ethenedicarboxylic acid, trans-, EPA Pesticide Chemical Code 051201, Fumaric acid (NF), Fumaric acid [NF], AI3-24236, MFCD00002700, fum, Maleic acid-2,3-d2, Lichenic acid (VAN), (E)-2-Butenedioate, Kyselina fumarova [Czech], Fumarsaeure, but-2-enedioicacid, CAS-110-17-8, fumarate, 10, E-2-Butenedioic acid, Fumaric acid (8CI), EINECS 203-743-0, FC 33 (acid), BRN 0605763, fumaricacid, Allomaleate, Polymaleicacid, Boletate, Lichenate, furmaric acid, fumeric acid, UNII-88XHZ13131, trans-Butenedioate, Fumaric acid CRS, NCGC00091192-02, 24661-33-4, trans-2-Butenedioate, 2-(E)-Butenedioate, Fumaric acid, 99%, ethylenedicarboxylic acid, Fumaric acid (Standard), (Trans)-butenedioic acid, F0067, Fumaric acid, >=99%, bmse000083, FUMARIC ACID [II], FUMARIC ACID [MI], EC 203-743-0, WLN: QV1U1VQ-T, FUMARIC ACID [FCC], SCHEMBL1177, FUMARIC ACID [FHFI], FUMARIC ACID [HSDB], Butanedioic acid trans-Isomer, FUMARIC ACID [VANDF], 4-02-00-02202 (Beilstein Handbook Reference), MLS002454406, 2-butenedioic acid, (2E)-, FUMARIC ACID [MART.], (2E)-2-Butenedioic acid #, FUMARIC ACID [USP-RS], FUMARIC ACID [WHO-DD], CHEMBL503160, orb1303780, orb3025516, SCHEMBL2079399, SCHEMBL4651715, FUMARICUM ACIDUM [HPUS], trans-1,2-Ethylenedicarboxylate, BDBM26122, MSK4408, 2(TRANS)-BUTENEDIOIC ACID, HMS2270C12, HMS5084G03, Pharmakon1600-01301022, Fumaric acid, >=99.0% (T), FUMARIC ACID [USP IMPURITY], HY-W015883R, STR02646, Tox21_201769, Tox21_302826, 2-Butenedioic acid (2E)- (9CI), EBC-03940, EBC-06136, Fumaric acid, >=99%, FCC, FG, NSC760395, s4952, AKOS000118896, Fumaric acid, white crystalline powder, CCG-266065, CS-W016599, DB01677, FF23617, HY-W015883, NSC-760395, Fumaric Acid, Asparagine EP Impurity D, NCGC00091192-01, NCGC00091192-03, NCGC00256360-01, NCGC00259318-01, BP-13087, Fumaric acid, tested according to USP/NF, LS-12976, SMR000112117, Fumaric acid, puriss., >=99.5% (T), MALIC ACID IMPURITY A [EP IMPURITY], NS00074156, EN300-17996, Fumaric acid, Vetec(TM) reagent grade, 99%, 1, (E), C00122, D02308, D85166, F094517, Q139857, Fumaric acid 1000 microg/mL in Acetonitrile:Water, Fumaric acid, BioReagent, suitable for cell culture, Fumarate, 2-Butenedioic acid, Trans-Butenedioic acid, SODIUM AUROTHIOMALATE IMPURITY B [EP IMPURITY], Z57127460, F8886-8257, Fumaric acid, certified reference material, TraceCERT(R), 26B3632D-E93F-4655-90B0-3C17855294BA, Fumaric acid, anhydrous, free-flowing, Redi-Dri(TM), >=99%, Fumaric acid, European Pharmacopoeia (EP) Reference Standard, Fumaric acid, United States Pharmacopeia (USP) Reference Standard, Fumaric Acid, Pharmaceutical Secondary Standard, Certified Reference Material, 9003-16-1
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 279.0 | - | 13.45 | [426] |
| 1-Propanol | 285.0 | - | 16.21 | [426] |
| 1-Propanol | 291.0 | - | 19.17 | [426] |
| 1-Propanol | 297.0 | - | 22.35 | [426] |
| 1-Propanol | 303.0 | - | 25.75 | [426] |
| 1-Propanol | 309.0 | - | 29.44 | [426] |
| 1-Propanol | 315.0 | - | 33.38 | [426] |
| 1-Propanol | 321.0 | - | 37.61 | [426] |
| 1-Propanol | 327.0 | - | 42.16 | [426] |
| 1-Propanol | 333.0 | - | 47.04 | [426] |
| 1-Propanol | 339.0 | - | 54.4 | [426] |
| 1-Propanol | 345.0 | - | 61.01 | [426] |
| 1-Propanol | 351.8 | - | 74.54 | [426] |
| Acetone | 279.0 | - | 5.561 | [426] |
| Acetone | 285.0 | - | 6.728 | [426] |
| Acetone | 291.0 | - | 7.939 | [426] |
| Acetone | 297.0 | - | 9.214 | [426] |
| Acetone | 303.0 | - | 10.55 | [426] |
| Acetone | 309.0 | - | 11.94 | [426] |
| Acetone | 315.0 | - | 13.38 | [426] |
| Acetone | 321.0 | - | 14.88 | [426] |
| Acetone | 327.0 | - | 16.44 | [426] |
| Acetone | 333.0 | - | 18.1 | [426] |
| Ethanol | 279.0 | - | 25.7 | [426] |
| Ethanol | 285.0 | - | 28.56 | [426] |
| Ethanol | 291.0 | - | 31.76 | [426] |
| Ethanol | 297.0 | - | 35.96 | [426] |
| Ethanol | 303.0 | - | 41.18 | [426] |
| Ethanol | 309.0 | - | 46.58 | [426] |
| Ethanol | 315.0 | - | 53.17 | [426] |
| Ethanol | 321.0 | - | 60.63 | [426] |
| Ethanol | 327.0 | - | 68.23 | [426] |
| Ethanol | 333.0 | - | 75.75 | [426] |
| Ethanol | 343.0 | - | 88.79 | [426] |
| Isopropanol | 279.0 | - | 17.02 | [426] |
| Isopropanol | 285.0 | - | 21.39 | [426] |
| Isopropanol | 291.0 | - | 26.07 | [426] |
| Isopropanol | 297.0 | - | 31.19 | [426] |
| Isopropanol | 303.0 | - | 36.26 | [426] |
| Isopropanol | 309.0 | - | 41.76 | [426] |
| Isopropanol | 315.0 | - | 47.31 | [426] |
| Isopropanol | 321.0 | - | 53.2 | [426] |
| Isopropanol | 327.0 | - | 59.42 | [426] |
| Isopropanol | 333.0 | - | 65.92 | [426] |
| Isopropanol | 342.0 | - | 81.57 | [426] |
| Isopropanol | 351.0 | - | 99.71 | [426] |
| Water | 279.0 | - | 0.8801 | [426] |
| Water | 285.0 | - | 2.809 | [426] |
| Water | 291.0 | - | 5.238 | [426] |
| Water | 297.0 | - | 8.049 | [426] |
| Water | 303.0 | - | 10.98 | [426] |
| Water | 309.0 | - | 14.17 | [426] |
| Water | 315.0 | - | 16.93 | [426] |
| Water | 321.0 | - | 20.93 | [426] |
| Water | 327.0 | - | 26.39 | [426] |
| Water | 333.0 | - | 34.39 | [426] |
| Water | 339.0 | - | 39.55 | [426] |
| Water | 353.0 | - | 55.84 | [426] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 87.2998 |
| PMI2 | 517.5315 |
| PMI3 | 604.8313 |
| NPR1 | 0.1443 |
| NPR2 | 0.8557 |
| RadiusOfGyration | 2.2827 |
| InertialShapeFactor | 0.0098 |
| Eccentricity | 0.9895 |
| Asphericity | 0.6295 |
| SpherocityIndex | 0.0000 |
| PBF | 0.0000 |