methyl (1S,3R)-3-formylcyclopentane-1-carboxylate
Basic information
- CAS
65553-68-6- Standard SMILES
COC(=O)[C@H]1CC[C@@H](C=O)C1- InChIKey
DHVYLYFSTLOVFO-RQJHMYQMSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- methyl (1S,3R)-3-formylcyclopentane-1-carboxylate
- IUPAC
- cis-methyl (1S,3R)-3-formylcyclopentane-1-carboxylate
Names & synonyms
methyl (1S,3R)-3-formylcyclopentane-1-carboxylate65553-68-6DTXSID10514188AT13556METHYL CIS-3-FORMYLCYCLOPENTANE-1-CARBOXYLATE
Database identifiers
- CAS
65553-68-6- PubChem CID
- 12968486
- DTXSID
DTXSID10514188- Nikkaji
- J411.546E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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