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1,10-Decanedioic-d16 Acid

CAT: 0572-TRC-S211412-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S211412-50MGSize:50 mg
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CAS Number
73351-71-0
Synonyms
Decanedioic-d16 acid (9CI)
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(C(=O)O)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
C10 D16 H2 O4
Molecular Weight
218.35
InChI
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2
Additionnal Information
IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecadeuteriodecanedioic acid
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

1,10-Decanedioic-D16 acid
CAS Number73351-71-0
PubChem CID71309007
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecadeuteriodecanedioic acid
Molecular FormulaC10H18O4
Molecular Weight218.35
XLogP2.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity157
SMILES
[2H]C([2H])(C(=O)O)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/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2
InChIKey
CXMXRPHRNRROMY-SADLKCKLSA-N
Chemical Structure
2D Structure
2D structure of 1,10-Decanedioic-D16 acid
CAS: 73351-71-0
CID: 71309007
Formula: C10H18O4
MW: 218.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight218.35
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass218.22093699
Monoisotopic Mass218.22093699
Topological Polar Surface Area74.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity157
Isotope Atom Count16
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes