3-Ethyl-3-phenylglutaric acid
Basic information
- CAS
4160-93-4- Standard SMILES
CCC(CC(=O)O)(CC(=O)O)c1ccccc1- InChIKey
QGUKASLBZHWGCO-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 3-Ethyl-3-phenylglutaric acid
- IUPAC
- 3-ethyl-3-phenylpentanedioic acid
- English name
- 3-ethyl-3-phenylglutaric acid
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26374
Names & synonyms
3-Ethyl-3-phenylglutaric acid4160-93-43-ethyl-3-phenylpentanedioic acidEINECS 224-000-7SCHEMBL1604732DTXSID10194429QGUKASLBZHWGCO-UHFFFAOYSA-NAKOS024332250pentanedioic acid, 3-ethyl-3-phenyl-NS00031019
Database identifiers
- CAS
4160-93-4- PubChem CID
- 77815
- DTXSID
DTXSID10194429- EC Number
- 224-000-7
- Nikkaji
- J224.962F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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