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1,4-Hexadien-3-ol

CAT: 0572-TRC-H703140-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H703140-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1070-14-0
Hazard Statement
No Data Available
Smiles
C\C=C\C(O)C=C
Molecular Formula
C6 H10 O
Molecular Weight
98.143
InChI
InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3-7H,2H2,1H3/b5-3+
Additionnal Information
IUPAC name: (4E)-hexa-1,4-dien-3-ol
Shipping Conditions
Room Temperature

Chemical Information

(4E)-hexa-1,4-dien-3-ol
CAS Number1070-14-0
PubChem CID12749318
IUPAC Name(4E)-hexa-1,4-dien-3-ol
Molecular FormulaC6H10O
Molecular Weight98.14
XLogP1.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity74
SMILES
C/C=C/C(C=C)O
InChI
InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3-7H,2H2,1H3/b5-3+
InChIKey
WCJAFRYVCLHKTK-HWKANZROSA-N
Chemical Structure
2D Structure
2D structure of (4E)-hexa-1,4-dien-3-ol
CAS: 1070-14-0
CID: 12749318
Formula: C6H10O
MW: 98.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.14
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass98.073164938
Monoisotopic Mass98.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity74.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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