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Stearic-d35 acid

CAT: 0024-sc-229329ASize: 1 gDry Ice: NoHazardous: No
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CAS Number
17660-51-4

Chemical Information

(~2~H_35_)Octadecanoic acid
CAS Number17660-51-4
PubChem CID12346575
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontadeuteriooctadecanoic acid
Molecular FormulaC18H36O2
Molecular Weight319.7
XLogP7.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity202
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([2H])([2H])C(=O)O
InChI
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2
InChIKey
QIQXTHQIDYTFRH-KNAXIHRDSA-N
Chemical Structure
2D Structure
2D structure of (~2~H_35_)Octadecanoic acid
CAS: 17660-51-4
CID: 12346575
Formula: C18H36O2
MW: 319.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.7
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass319.491216495
Monoisotopic Mass319.491216495
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity202
Isotope Atom Count35
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

CatalogName
HY-B2219S4-01Stearic acid-d35
TRC-S686518-10MGStearic-D35 Acid
TRC-S686507-50MGStearic Acid-d35 Lithium Salt
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MBS393917-01Octadecanoic-D35 Acid

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