Basic information
- Standard SMILES
Cc1ccccc1OC(=O)C(C)(C)C- InChIKey
WFGQAOWBQYCYEX-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
Names & identifiers
- Preferred name
- 2-Methylphenyl pivalate
- IUPAC
- (2-methylphenyl) 2,2-dimethylpropanoate
Names & synonyms
2-Methylphenyl pivalate2-Methylphenyl pivalate #SCHEMBL6623802SCHEMBL7286193Pivalic acid, 2-methylphenyl esterAKOS002943607
Database identifiers
- PubChem CID
- 572584
- Nikkaji
- J2.660.102I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Related reactions
2 records
Compound notes
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