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Heptadecanoic Acid (D33, 98%)

CAT: 0572-TRC-H998798-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H998798-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
352431-41-5
Synonyms
Heptadecanoic-d33 acid (9CI); Heptadecanoic Acid-D33; n-Heptadecylic acid-d33; Margaric acid-d33
Hazard Statement
No Data Available
Purity
>95% (GC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
Molecular Formula
C17 D33 H O2
Molecular Weight
303.654
InChI
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2
Additionnal Information
IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontadeuterioheptadecanoic acid
Shipping Conditions
Room Temperature

Chemical Information

Heptadecanoic-D33 acid
CAS Number352431-41-5
PubChem CID102601131
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontadeuterioheptadecanoic acid
Molecular FormulaC17H34O2
Molecular Weight303.65
XLogP6.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity190
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
InChI
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2
InChIKey
KEMQGTRYUADPNZ-TUWMXWROSA-N
Chemical Structure
2D Structure
2D structure of Heptadecanoic-D33 acid
CAS: 352431-41-5
CID: 102601131
Formula: C17H34O2
MW: 303.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.65
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass303.463012939
Monoisotopic Mass303.463012939
Topological Polar Surface Area37.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity190
Isotope Atom Count33
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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