SDF/Mol File of CYCLOHEXANONE (C6H10O)

Structure Data File (SDF/MOL File) Description

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chemical table area

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Additional Information for Identifying CYCLOHEXANONE Molecule

• Chemical structure of CYCLOHEXANONE

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of CYCLOHEXANONE is available in chemical structure page of CYCLOHEXANONE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of CYCLOHEXANONE

  The molecular weight of CYCLOHEXANONE is available in molecular weight page of CYCLOHEXANONE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of CYCLOHEXANONE

  The chemical formula of CYCLOHEXANONE is given in chemical formula page of CYCLOHEXANONE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of CYCLOHEXANONE

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of CYCLOHEXANONE is:

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

  It can provide a standard way to encode the molecular information of CYCLOHEXANONE to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of CYCLOHEXANONE is:

  InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for CYCLOHEXANONE, but it needs to be linked to the full InChI to get back to the original structure of the CYCLOHEXANONE since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of CYCLOHEXANONE

  The CYCLOHEXANONE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of CYCLOHEXANONE including the registry numbers are listed below, if available:

  • BBV-46883748
  • 11119-77-0
  • cyclohexanon, homopolymer (mittlere molmasse 415-750 g/mol)
  • Z955123528
  • F0001-0185
  • I14-53082
  • I14-20861
  • J-520160
  • I01-1194
  • Cyclohexanone, puriss. p.a., >=99.5% (GC)

  • Cyclohexanone, Vetec(TM) reagent grade, 98%
  • Cyclohexanone, JIS special grade, >=99.0%
  • Cyclohexanone [UN1915] [Flammable liquid]
  • Y1320
  • Cyclohexanone, Selectophore(TM), >=99.5%
  • Cyclohexanone [UN1915] [Flammable liquid]
  • Cyclohexanone, SAJ first grade, >=98.0%
  • Cyclohexanone, puriss., >=99.5% (GC)
  • Cyclohexanone, ReagentPlus(R), 99.8%
  • Cyclohexanone, ACS reagent, >=99.0%

  • UN 1915
  • RTR-002012
  • ANW-15994
  • Cyclohexanone - Reagent Grade ACS
  • HMS3039C04
  • Cyclohexanone, analytical standard
  • Cyclohexanone, AR, >=99.5%
  • HMDB03315
  • Cyclohexanone, p.a., 99.0%
  • Cyclohexanone (Industrial Grade)

  • Cyclohexanone, 99% 100ml
  • 5QOR3YM052
  • Cyclohexanone, LR, >=99%
  • BIDD:ER0292
  • CYCLOHEXYL, 2-OXO-
  • bmse000405
  • CYCLOHEXANONE, ACS
  • Cyclohexanone, 99.8%
  • Cyclohexanone homopolymer
  • BDBM6

  • cyclohexanone,homopolymer
  • resins, cyclohexanone
  • Cyclohexanon(dutch)
  • Hydrol-e
  • 2-cyclohexanone
  • hexanoe
  • CAS-108-94-1
  • 9075-99-4
  • CYH
  • Cyclohexanone-1-13C

  • 9003-41-2
  • MFCD00001625
  • cyclohexan-1-one
  • cyclohexyloxy
  • EPA Pesticide Chemical Code 025902
  • RCRA waste no. U057
  • POLYCYCLOHEXANONE
  • Cykloheksanon [Polish]
  • Cicloesanone [Italian]
  • Caswell No. 270

  • Cyclohexanon [Dutch]
  • Cyclic ketone
  • RCRA waste number U057
  • Hytrolo
  • Cyclohexanone, homopolymer
  • Cykloheksanon
  • Cicloesanone
  • Pimelin ketone
  • oxocyclohexane
  • ketocyclohexane

  • Cyclohexanon
  • Hytrol O
  • Hexanon
  • Anon
  • Anone
  • Nadone
  • Cyclohexyl ketone
  • Sextone
  • Ketohexamethylene
  • Pimelic ketone

  • 108-94-1

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CYCLOHEXANONE Identification Summary Frequently Asked Questions (FAQs)

What’s the CYCLOHEXANONE formula?
C6H10O
How many atoms and what elements are included in the CYCLOHEXANONE molecule?
17 atom(s) - 10 Hydrogen atom(s), 6 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the CYCLOHEXANONE structure?
17 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 six-membered ring(s), and 1 ketone(s) (aliphatic)
What’s the CYCLOHEXANONE’s molar mass?
98.143 g/mol
What’s the SMILES structure of CYCLOHEXANONE?
O=C1CCCCC1
What’s the InChI code of CYCLOHEXANONE?
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
What’s the InChIKey format of CYCLOHEXANONE?
JHIVVAPYMSGYDF-UHFFFAOYSA-N

543 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).