Cyclohexane, HPLC Grade (1 Pack = 1L)

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CAS Number

110-82-7

Smiles

C1CCCCC1

Chemical Information

Cyclohexane

Cyclohexane is an alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. It has a role as a non-polar solvent. It is a volatile organic compound and a cycloalkane.

CAS Number	110-82-7
PubChem CID	8078
IUPAC Name	cyclohexane
Molecular Formula	C6H12
Molecular Weight	84.16
XLogP	3.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	15

SMILES

C1CCCCC1

InChI

InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

InChIKey

XDTMQSROBMDMFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110-82-7

CID: 8078

Formula: C6H12

MW: 84.16

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	84.16
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	84.093900383
Monoisotopic Mass	84.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	15.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Cyclohexane, HPLC Grade (1 Pack = 1L)

Chemical Information

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