Basic information
- CAS
6938-50-7- Standard SMILES
COC(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1- InChIKey
RVFPILPQWNWQPB-CHWSQXEVSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- trans-methyl (1R,2R)-2-(phenylcarbamoyl)cyclohexane-1-carboxylate
- IUPAC
- trans-methyl (1R,2R)-2-(phenylcarbamoyl)cyclohexane-1-carboxylate
Names & synonyms
NSC53970NSC-53970NSC404767NSC-404767
Database identifiers
- CAS
6938-50-7- PubChem CID
- 243798
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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