Completing data — usually done within a minute
Basic information
- CAS
6052-53-5- Standard SMILES
CC(=Cc1ccccc1)CC(=O)O- InChIKey
NGJLFMBOFBKYHK-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 3-Methyl-4-phenylbut-3-enoic acid
- IUPAC
- 3-methyl-4-phenylbut-3-enoic acid
Names & synonyms
3-methyl-4-phenylbut-3-enoic acid6052-53-5SCHEMBL2910667DTXSID90901592NGJLFMBOFBKYHK-UHFFFAOYSA-N3-Butenoic acid, 3-methyl-4-phenyl-NS00044230
Database identifiers
- CAS
6052-53-5- PubChem CID
- 293449
- DTXSID
DTXSID90901592- EC Number
- 227-963-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Related reactions
4 records
Compound notes
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