Basic information
- CAS
159581-81-4- Standard SMILES
COC(=O)[C@H]1CCCC(=NO)[C@H]1OC- InChIKey
QNBRPPRNTZDGMG-XPUUQOCRSA-N- Molecular formula
- C9H15NO4
- Average molar mass
- 201.22 g/mol
Names & identifiers
- Preferred name
- trans-methyl (1S,2S)-3-hydroxyimino-2-methoxycyclohexane-1-carboxylate
- IUPAC
- trans-methyl (1S,2S)-3-hydroxyimino-2-methoxycyclohexane-1-carboxylate
- English name
- Cyclohexanecarboxylic acid, 3-(hydroxyimino)-2-methoxy-, methyl ester, (1S-cis)- (9CI)
- Molecular formula
- C9H15NO4
- Molecular weight
- 201.22
Names & synonyms
Cyclohexanecarboxylic acid, 3-(hydroxyimino)-2-methoxy-, methyl ester, (1S-cis)- (9CI)
Database identifiers
- CAS
159581-81-4
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 308 · 308.0±42.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 11.63 · 11.63±0.60(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…