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cis-3-Hexen-1-ol-D2

CAT: 0572-TRC-H295007-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H295007-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
164668-81-9
Hazard Statement
Flammable liquid and vapour; UN number: UN1987; Packing Group: III
Smiles
[2H]\C(=C(/[2H])\CCO)\CC
Molecular Formula
C6 D2 H10 O
Molecular Weight
102.171
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-/i3D,4D
Additionnal Information
IUPAC name: (Z)-3,4-dideuteriohex-3-en-1-ol
Shipping Conditions
Room Temperature

Chemical Information

cis-3-Hexen-1-ol-D2
CAS Number164668-81-9
PubChem CID10261058
IUPAC Name(Z)-3,4-dideuteriohex-3-en-1-ol
Molecular FormulaC6H12O
Molecular Weight102.17
XLogP1.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity48
SMILES
[2H]/C(=C(\[2H])/CCO)/CC
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-/i3D,4D
InChIKey
UFLHIIWVXFIJGU-KKLCAENNSA-N
Chemical Structure
2D Structure
2D structure of cis-3-Hexen-1-ol-D2
CAS: 164668-81-9
CID: 10261058
Formula: C6H12O
MW: 102.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.17
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass102.101368494
Monoisotopic Mass102.101368494
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity48.1
Isotope Atom Count2
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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