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10-Undecenoic Acid Methyl-d3 Ester

CAT: 0572-TRC-U788832-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-U788832-100MGSize:100 mg
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CAS Number
774610-27-4
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Smiles
C=CCCCCCCCCC(OC([2H])([2H])[2H])=O
Molecular Formula
C12H19D3O2
Molecular Weight
201.32
InChI
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3/i2D3
Additionnal Information
IUPAC name: methyl-d3 undec-10-enoate
Shipping Conditions
Room Temperature

Chemical Information

10-Undecenoic Acid Methyl-d3 Ester
CAS Number774610-27-4
PubChem CID131668393
IUPAC Nametrideuteriomethyl undec-10-enoate
Molecular FormulaC12H22O2
Molecular Weight201.32
XLogP4.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity152
SMILES
[2H]C([2H])([2H])OC(=O)CCCCCCCCC=C
InChI
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3/i2D3
InChIKey
KISVAASFGZJBCY-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of 10-Undecenoic Acid Methyl-d3 Ester
CAS: 774610-27-4
CID: 131668393
Formula: C12H22O2
MW: 201.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.32
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass201.180810178
Monoisotopic Mass201.180810178
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity152
Isotope Atom Count3
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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Alternative Products

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sc-47767610,12-Pentacosadiynoic Acid Methyl-d3 Ester
444725-01Cis-9,10-Epoxystearic Acid Methyl Ester-d3
sc-497727(±) -trans-9,10-Epoxystearic Acid Methyl Ester-d3
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