Basic information
- Standard SMILES
CC(=O)C1CC(C(=O)O)C1(C)C- InChIKey
VZUKBNZKASVATD-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- 3-Acetyl-2,2-dimethylcyclobutane-1-carboxylic acid
- IUPAC
- 3-acetyl-2,2-dimethylcyclobutane-1-carboxylic acid
Names & synonyms
473-68-73-acetyl-2,2-dimethylcyclobutane-1-carboxylic acid3-acetyl-2,2-dimethylcyclobutanecarboxylic acid2,2-Dimethyl-3-acetylcyclobutanecarboxylic acidSCHEMBL9654672,2-Dimethyl-3-acetyl-1-cyclobutanecarboxylic acidMFCD00558962PB42469SB11521SY514606DB-252325EN300-109374
Show more names
3-acetyl-2,2-dimethylcyclobutane carboxylic acid3-acetyl-2,2-dimethylcyclobutane-1-carboxylicacidCyclobutanecarboxylic acid, 3-acetyl-2,2-dimethyl-
Database identifiers
- PubChem CID
- 5260157
- Nikkaji
- J12.587C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 230
Related reactions
1 records
Compound notes
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