(1R,2S)-2-(3-oxobutyl)cyclopropane-1-carboxylic acid
Basic information
- CAS
176791-03-0- Standard SMILES
CC(=O)CC[C@H]1C[C@H]1C(=O)O- InChIKey
UHZOVZSQFZMCER-NKWVEPMBSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- (1R,2S)-2-(3-oxobutyl)cyclopropane-1-carboxylic acid
- IUPAC
- trans-(1R,2S)-2-(3-oxobutyl)cyclopropane-1-carboxylic acid
- English name
- Cyclopropanecarboxylic acid, 2-(3-oxobutyl)-, cis- (9CI)
- Molecular formula
- C8H12O3
- Molecular weight
- 156.17908
Names & synonyms
176791-03-0774214-56-1(1R,2S)-2-(3-Oxobutyl)cyclopropanecarboxylic acid(1R,2S)-2-(3-oxobutyl)cyclopropane-1-carboxylic acidDTXSID10665725Cyclopropanecarboxylic acid, 2-(3-oxobutyl)-, cis- (9CI)
Database identifiers
- CAS
176791-03-0- PubChem CID
- 45084841
- DTXSID
DTXSID10665725
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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