Chemical Component Summary | |
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Name | (2E)-2-METHYLBUT-2-ENEDIOIC ACID |
Synonyms | MESACONIC ACID; MESACONATE |
Identifiers | (E)-2-methylbut-2-enedioic acid |
Formula | C5 H6 O4 |
Molecular Weight | 130.099 |
Type | NON-POLYMER |
Isomeric SMILES | C/C(=C\C(=O)O)/C(=O)O |
InChI | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ |
InChIKey | HNEGQIOMVPPMNR-NSCUHMNNSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 15 |
Chiral Atom Count | 0 |
Bond Count | 14 |
Aromatic Bond Count | 0 |
Related Resource References
Resource Name | Reference |
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PubChem | 638129 |
ChEBI | CHEBI:16600 |
CCDC/CSD | WOQBAF02, WOQBAF, FEPFOX, HOLWAI, HOGJOF, HOGKAS, HOLWAI01, HOLWAI02, MESCON, HOLWOW |