(1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate
Basic information
- CAS
88335-94-8- Standard SMILES
COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]- InChIKey
MYYLMIDEMAPSGH-NKWVEPMBSA-M- Molecular formula
- C9H11O4-
- Average molar mass
- 183.18 g/mol
- Monoisotopic mass
- 183.06573383
Names & identifiers
- Preferred name
- (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate
- IUPAC
- (1S,6R)-6-methoxycarbonylcyclohex-3-ene-1-carboxylate
Names & synonyms
DTXSID50426195(1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate
Database identifiers
- CAS
88335-94-8- PubChem CID
- 6950375
- DTXSID
DTXSID50426195
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- -1
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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