2,2-Dimethyl-4-phenylbut-3-enoic acid
Basic information
- CAS
4405-27-0- Standard SMILES
CC(C)(C=Cc1ccccc1)C(=O)O- InChIKey
AQDYAWVKFNARNE-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 2,2-Dimethyl-4-phenylbut-3-enoic acid
- IUPAC
- 2,2-dimethyl-4-phenylbut-3-enoic acid
Names & synonyms
2,2-dimethyl-4-phenylbut-3-enoic acid4405-27-0DTXSID30316464RefChem:243502DTXCID70267587SCHEMBL28748361
Database identifiers
- CAS
4405-27-0- PubChem CID
- 327671
- DTXSID
DTXSID30316464
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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