Basic information
- Standard SMILES
CC(=O)c1ccc(Cl)cc1/C=C/C(=O)O- InChIKey
AAEKCKZNJOBLAC-GORDUTHDSA-N- Molecular formula
- C11H9ClO3
- Average molar mass
- 224.64 g/mol
Names & identifiers
- Preferred name
- (E)-3-(2-acetyl-5-chlorophenyl)acrylic acid
- IUPAC
- (E)-3-(2-acetyl-5-chlorophenyl)prop-2-enoic acid
Names & synonyms
SCHEMBL615860SCHEMBL30480708AAEKCKZNJOBLAC-GORDUTHDSA-N(E)-3-(2-acetyl-5-chlorophenyl)acrylic acid
Database identifiers
- PubChem CID
- 66744692
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Related reactions
2 records
Compound notes
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