Basic information
- Standard SMILES
CC(C)(C)C(=O)Oc1ccc(C#N)cc1- InChIKey
KVCYRHCBMVONNS-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethylpropanoic acid, 4-cyanophenyl ester
- IUPAC
- (4-cyanophenyl) 2,2-dimethylpropanoate
Names & synonyms
2,2-Dimethylpropanoic acid, 4-cyanophenyl ester4-cyanophenyl pivalateSCHEMBL27945029KVCYRHCBMVONNS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 532764
- Nikkaji
- J748.116K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Related reactions
2 records
Compound notes
Loading…