Basic information
- CAS
77897-27-9- Standard SMILES
CC(Cc1ccc(C(C)C)cc1)C(=O)O- InChIKey
FLMVHZOJMRGXRO-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-3-[4-(propan-2-yl)phenyl]propanoic acid
- IUPAC
- 2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
- English name
- Benzenepropanoic acid, -alpha--methyl-4-(1-methylethyl)-, (-)- (9CI)
- Molecular formula
- C13H18O2
- Molecular weight
- 0
Names & synonyms
2-Methyl-3-[4-(propan-2-yl)phenyl]propanoic acid66735-06-63-(4-Isopropylphenyl)-2-methylpropanoic acid2-methyl-3-(4-propan-2-ylphenyl)propanoic Acid74648-04-7SCHEMBL9311732FLMVHZOJMRGXRO-UHFFFAOYSA-NMFCD004593153-(4-isopropylphenyl)-2-methyl-propanoic acidEN300-1836611A1-15690
Database identifiers
- CAS
77897-27-9- Nikkaji
- J752H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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