Basic information
- CAS
4412-08-2- Standard SMILES
CC(C)=C(C(=O)O)c1ccccc1- InChIKey
FDUUZPAQWRCHOZ-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- alpha-(1-Methylethylidene)benzeneacetic acid
- IUPAC
- 3-methyl-2-phenylbut-2-enoic acid
Names & synonyms
4412-08-2Benzeneacetic acid, alpha-(1-methylethylidene)-DTXSID50196043RefChem:1076406DTXCID60118534alpha-(1-Methylethylidene)benzeneacetic acid3-methyl-2-phenylbut-2-enoic acidbeta,beta-Dimethylatropic acid3-Methyl-2-phenyl-crotonic acidBRN 1937711CROTONIC ACID, 3-METHYL-2-PHENYL-SCHEMBL2555176
Show more names
AKOS0225358894-09-00-02086 (Beilstein Handbook Reference)EN300-24209515Benzeneacetic acid, alpha-(1-methylethylidene)- (9CI)Z1262510971
Database identifiers
- CAS
4412-08-2- PubChem CID
- 20447
- DTXSID
DTXSID50196043- Nikkaji
- J608.022G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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