| Phytochemical Name : Mesaconic acid |
| PCNDIDM0049 |
| Pubchem CID : 638129 |
| Molecular formula: C5H6O4 |
| Canonical SMILES : CC(=CC(=O)O)C(=O)O |
Synonymes : mesaconic acid|498-24-8|2-Methylfumaric acid|Methylfumaric acid|mesaconate|2-Butenedioic acid, 2-methyl-, (2E)-|Fumaric acid, methyl-|trans-2-Methyl-2-butenedioic acid|trans-1-Propene-1,2-dicarboxylic acid|Kyselina mesakonova|(2E)-2-METHYLBUT-2-ENEDIOIC ACID|2-methylfumarate|2-Butenedioic acid, 2-methyl-, (E)-|Butenedioic acid, methyl-, (E)-|2-methylbut-2-enedioic acid|Citronic acid|(E)-2-methylbut-2-enedioic acid|(E)-2-Methyl-2-butenedioic acid|Kyselina mesakonova [Czech]|NSC 65438|(E)-Citraconic acid|(2E)-2-Methyl-2-butenedioic acid|EINECS 207-859-2|BRN 1722680|UNII-90UTM639KK|2-methyl-2E-butenedioic acid|90UTM639KK|methylfumarate|NSC32949|NSC-65438|4-02-00-02231 (Beilstein Handbook Reference)|Mesaconicacid|7407-59-2|Citronic acid; Methylfumaric acid|Citronate|NSC-32949|(E)-Citraconate|Mesaconic acid, 99%|bmse000746|WLN: QVY1&U1VQ|SCHEMBL5894|MESACONIC ACID [MI]|SCHEMBL28517|trans-2-Methyl-2-butenedioate|WLN: QVY1&U1VQ -T|(2E)-2-Methyl-2-butenedioate|CHEBI:16600|DTXSID10883407|MESACONIC ACID; MESACONATE|NSC65438|trans-1-Propene-1,2-dicarboxylate|(E)-2-methyl-but-2-enedioic acid|BBL023435|LMFA01170116|MFCD00002653|STL299679|AKOS000119631|(2E)-2-Methyl-2-butenedioic acid #|LS-89871|CS-0368860|M0066|EN300-19991|C01732|2-Butenedioic acid, 2-methyl-, (E)- (9CI)|EN300-1387340|Q3544981|W-106002|Z104476308|FB1827E3-2A34-43A5-BDDC-481FC6606513 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.620 |
| Log Po/w (XLOGP3) : -0.070 |
| Log Po/w (WLOGP) : 0.100 |
| Log Po/w (MLOGP) : -0.230 |
| Log Po/w (SILICOS-IT) : -0.620 |
| Consensus Log Po/w : -0.040 |