Basic information
- CAS
113485-42-0- Standard SMILES
COc1ccccc1C(=O)/C=C/C(=O)O- InChIKey
UJSUZYNQPVWDCA-VOTSOKGWSA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.0579088
Names & identifiers
- Preferred name
- 2-Butenoic acid, 4-(2-methoxyphenyl)-4-oxo-, (E)-
- IUPAC
- (E)-4-(2-methoxyphenyl)-4-oxobut-2-enoic acid
Names & synonyms
113485-42-02-Butenoic acid, 4-(2-methoxyphenyl)-4-oxo-, (E)-RefChem:1062643(E)-4-(2-Methoxyphenyl)-4-oxo-2-butenoic acid(E)-4-(2-methoxyphenyl)-4-oxobut-2-enoic acidCHEMBL4543135SCHEMBL10487311MFCD00875478H83310(2E)-4-(2-Methoxyphenyl)-4-oxo-2-butenoic acid2-Butenoic acid, 4-(2-methoxyphenyl)-4-oxo-, (2E)-
Database identifiers
- CAS
113485-42-0- PubChem CID
- 6450596
- ChEMBL
CHEMBL4543135
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…