Molecule record

4-nitrocyclohexan-1-ol

C6H11NO3

145.16 g/mol

Loading structure

Molecular properties

Formula
C6H11NO3
Molar mass
145.16 g·mol−1
Exact mass
145.0739 Da
2
PubChem CID
431653

Functional groups

Alcohol
Alkane / alkyl carbon
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 121936-53-6
  • 4-nitrocyclohexanol
  • DTXSID001315529
  • RefChem:295076
  • SCHEMBL9242242

Structure identifiers

Canonical SMILES
O=[N+]([O-])C1CCC(O)CC1
Isomeric SMILES
C1CC(CCC1[N+](=O)[O-])O
InChI
InChI=1S/C6H11NO3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2
InChIKey
ZJTAOPVJQSDQTJ-UHFFFAOYSA-N
PubChem CID
431653

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-nitrocyclohexan-1-ol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitrocyclohexan-1-ol; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record
4-nitrocyclohexan-1-ol - Formula, Structure | ChemArche