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1,3-Cyclohexadiene

CAT: 0024-sc-237712Size: 5 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-237712Size:5 mL
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CAS Number
592-57-4

Chemical Information

1,3-Cyclohexadiene

Cyclohexa-1,3-diene is a cyclohexadiene.

CAS Number592-57-4
PubChem CID11605
IUPAC Namecyclohexa-1,3-diene
Molecular FormulaC6H8
Molecular Weight80.13
XLogP2.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity66
SMILES
C1CC=CC=C1
InChI
InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
InChIKey
MGNZXYYWBUKAII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Cyclohexadiene
CAS: 592-57-4
CID: 11605
Formula: C6H8
MW: 80.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight80.13
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass80.062600255
Monoisotopic Mass80.062600255
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity66
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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