3-Methyl-3,4-diphenylbutanoic acid
Basic information
- CAS
6279-96-5- Standard SMILES
CC(CC(=O)O)(Cc1ccccc1)c1ccccc1- InChIKey
ZCFZXTJJDYFYJF-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067981
Names & identifiers
- Preferred name
- 3-Methyl-3,4-diphenylbutanoic acid
- IUPAC
- 3-methyl-3,4-diphenylbutanoic acid
Names & synonyms
6279-96-53-methyl-3,4-diphenylbutanoic acidNSC11026DTXSID40279016NSC-11026
Database identifiers
- CAS
6279-96-5- PubChem CID
- 223399
- DTXSID
DTXSID40279016
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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