Basic information
- CAS
3448-42-8- Standard SMILES
O=C(O)CC(CCc1ccccc1)C(=O)O- InChIKey
ALBOPSCADUBUHF-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- 2-Phenylethylsuccinic acid
- IUPAC
- 2-(2-phenylethyl)butanedioic acid
Names & synonyms
2-Phenylethylsuccinic acidPhenylethylsuccinic acid6E1Z4CDA0NButanedioic acid, (2-phenylethyl)-UNII-6E1Z4CDA0NButanedioic acid, 2-(2-phenylethyl)-3448-42-8Oprea1_688821SCHEMBL10734883
Database identifiers
- CAS
3448-42-8- PubChem CID
- 3608596
- UNII
- 6E1Z4CDA0N
- Nikkaji
- J1.739.059G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
1 records
Compound notes
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