(1S,2R,3S)-2,3-Dimethyl-5-oxocyclopentane-1-carboxylic acid
Basic information
- CAS
921210-57-3- Standard SMILES
C[C@H]1[C@H](C(=O)O)C(=O)C[C@@H]1C- InChIKey
ULSQSYZPZBSCCO-BFHQHQDPSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- (1S,2R,3S)-2,3-Dimethyl-5-oxocyclopentane-1-carboxylic acid
- IUPAC
- (1S,2R,3S)-2,3-dimethyl-5-oxocyclopentane-1-carboxylic acid
Names & synonyms
921210-57-3(1S,2R,3S)-2,3-Dimethyl-5-oxocyclopentane-1-carboxylic acidDTXSID60580717
Database identifiers
- CAS
921210-57-3- PubChem CID
- 15982829
- DTXSID
DTXSID60580717
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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