(2Z)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid
Basic information
- CAS
54283-64-6- Standard SMILES
COc1ccc(/C(C)=C\C(=O)O)c(OC)c1- InChIKey
VNLOISSPTMDCIF-VURMDHGXSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Overview
Dimecrotic acid is a small molecule drug. Dimecrotic acid has a monoisotopic molecular weight of 222.09 Da.
Names & identifiers
- Preferred name
- (2Z)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid
- IUPAC
- (Z)-3-(2,4-dimethoxyphenyl)but-2-enoic acid
Names & synonyms
DTXSID80860023(2Z)-3-(2,4-Dimethoxyphenyl)-2-butenoic acidRefChem:207229DTXCID401079696UNII-R46Y1C0ZR2Dimecrotic acid [INN:WHO-DD](Z)-3-(2,4-dimethoxyphenyl)but-2-enoic acidCHEMBL2106711SCHEMBL30994861HAA706672,4-Dimethoxy-(2)-methylcinnamic AcidT71325
Show more names
Q27287781(2Z)-3-(2,4-DIMETHOXYPHENYL)BUT-2-ENOIC ACID
Database identifiers
- CAS
54283-64-6- PubChem CID
- 6433947
- DTXSID
DTXSID80860023- ChEMBL
CHEMBL2106711- UNII
- R46Y1C0ZR2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
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Related reactions
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Compound notes
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