rel-Methyl (1R,2S)-1,2-dimethylcyclopropanecarboxylate
Basic information
- CAS
20515-20-2- Standard SMILES
COC(=O)[C@]1(C)C[C@@H]1C- InChIKey
OOJSZNKVLOYWKL-CAHLUQPWSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- rel-Methyl (1R,2S)-1,2-dimethylcyclopropanecarboxylate
- IUPAC
- trans-methyl (1R,2S)-1,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
rel-Methyl (1R,2S)-1,2-dimethylcyclopropanecarboxylateDTXSID70121166720515-20-2Methyl (1R,2S)-1,2-dimethylcyclopropane-1-carboxylate
Database identifiers
- CAS
20515-20-2- PubChem CID
- 13707463
- DTXSID
DTXSID701211667
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 142
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Compound notes
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