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Trans-1,4-Hexadiene

CAT: 0127-OR1077362Size: 5 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1077362Size:5 mL
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CAS Number
7319-00-8
MDL Number
MFCD00009298
Purity
>98.0%
Smiles
CC=CCC=C

Chemical Information

trans-1,4-Hexadiene

(4E)-1,4-hexadiene has been reported in Solanum lycopersicum with data available.

CAS Number7319-00-8
PubChem CID5365552
IUPAC Name(4E)-hexa-1,4-diene
Molecular FormulaC6H10
Molecular Weight82.14
XLogP2.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity51
SMILES
C/C=C/CC=C
InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
InChIKey
PRBHEGAFLDMLAL-GQCTYLIASA-N
Chemical Structure
2D Structure
2D structure of trans-1,4-Hexadiene
CAS: 7319-00-8
CID: 5365552
Formula: C6H10
MW: 82.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight82.14
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass82.078250319
Monoisotopic Mass82.078250319
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity51.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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