(E)-2,2,3-Trimethyl-4-phenyl-but-3-enoic acid
Basic information
- CAS
55078-29-0- Standard SMILES
CC(=Cc1ccccc1)C(C)(C)C(=O)O- InChIKey
GAPDJIOVEVVKED-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- (E)-2,2,3-Trimethyl-4-phenyl-but-3-enoic acid
- IUPAC
- 2,2,3-trimethyl-4-phenylbut-3-enoic acid
Names & synonyms
(E)-2,2,3-TRIMETHYL-4-PHENYL-BUT-3-ENOIC ACIDDTXSID90316465
Database identifiers
- CAS
55078-29-0- PubChem CID
- 327672
- DTXSID
DTXSID90316465
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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