Cyclohexanone

Cyclohexanone bmse000405 - Data

Cyclohexanone synonyms

Oxocyclohexane; Anone; Hexanon; Nadone; Pimelic ketone; Cyclohexanone, homopolymer; Sextone; sextone; nadone; CYH; cyclohexanone

Wikipedia:

Graphical representations:

Cyclohexanone

View large 3D structure

Molecular Formula: C6H10O

Natural Isotopic Abundance Mass: 98.143

Mono-Isotopic Molecular Masses:

  • C12N14: 98.0731649431
  • C13N14: 104.0932939699
  • C12N15: 98.0731649431
  • C13N15: 104.0932939699

InChI string: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

PubChem Compound (CID): 7967
CAS Registry number: 108-94-1 11119-77-0 9003-41-2 9075-99-4
Sigma-Aldrich: W390909_ALDRICH
ChEBI: CHEBI:17854
ChemIDplus: 009003412
ChemSpider: 11611944
NMRShiftDB: 10005716
EPA DSSTox: 359
BindingDB: 6
UM-BBD: c0195
SMID: CYH
DrugBank: DB02060
KEGG Compound ID: C02019
ChemDB: 3969547
NCGC: NCGC00091786-01
NIST Chemistry WebBook: 3418309825
PDB Compound ID: CYH XTS

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)