Basic information
- CAS
85293-40-9- Standard SMILES
COc1ccc(OC)c(C(=O)/C=C/C(=O)O)c1- InChIKey
KNDFIEKDZCTWHM-GQCTYLIASA-N- Molecular formula
- C12H12O5
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.06847348
Names & identifiers
- Preferred name
- 2-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-
- IUPAC
- (E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid
Names & synonyms
85293-40-92-Butenoic acid, 4-(2,5-dimethoxyphenyl)-4-oxo-, (E)-RefChem:1062642(2e)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid(E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid(E)-4-(2,5-Dimethoxyphenyl)-4-oxo-2-butenoic acidNSC636806CHEMBL4446640SCHEMBL11095055AKOS014045890ST0369994-(2,5-Dimethoxyphenyl)-4-oxo-2-butenoic acid
Show more names
(E)-4-(2,5-dimethoxyphenyl)-4-oxo-but-2-enoic acid
Database identifiers
- CAS
85293-40-9- PubChem CID
- 708554
- ChEMBL
CHEMBL4446640
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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