1-Methyl (1S,2S)-4-cyclohexene-1,2-dicarboxylate
Basic information
- CAS
253454-00-1- Standard SMILES
COC(=O)[C@H]1CC=CC[C@@H]1C(=O)O- InChIKey
MYYLMIDEMAPSGH-BQBZGAKWSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 1-Methyl (1S,2S)-4-cyclohexene-1,2-dicarboxylate
- IUPAC
- (1S,6S)-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid
Names & synonyms
1-Methyl (1S,2S)-4-cyclohexene-1,2-dicarboxylateDTXSID001236151253454-00-1(1S,6S)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid
Database identifiers
- CAS
253454-00-1- PubChem CID
- 853172
- DTXSID
DTXSID001236151
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
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Compound notes
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