Basic information
- CAS
88153-39-3- Standard SMILES
CCC(=Cc1ccccc1)C(=O)O- InChIKey
RUETZBUVTWCCIZ-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 2-Benzylidenebutanoic acid
- IUPAC
- 2-benzylidenebutanoic acid
Names & synonyms
2-benzylidenebutanoic acid88153-39-3DTXSID90284190RefChem:256605DTXCID10235341benzal butyric acidalpha-ethyl cinnamic acidSCHEMBL57683RUETZBUVTWCCIZ-UHFFFAOYSA-N2-(phenylmethylidene)butanoic acidAKOS030239971
Database identifiers
- CAS
88153-39-3- PubChem CID
- 235117
- DTXSID
DTXSID90284190
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Related reactions
5 records
Compound notes
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