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Adipic Acid-d4 (Major)

CAT: 0572-TRC-A291594-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A291594-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121311-78-2
Synonyms
Hexanedioic-3,3,4,4-d4 acid (9CI); Hexanedioic acid-3,3,4,4-D4; Hexanedioic acid-d4; Adipic Acid-d4
Hazard Statement
Causes serious eye irritation.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(CC(=O)O)C([2H])([2H])CC(=O)O
Molecular Formula
C6 D4 H6 O4
Molecular Weight
150.166
InChI
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i1D2,2D2
Additionnal Information
IUPAC name: 3,3,4,4-tetradeuteriohexanedioic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Adipic Acid-d4 (Major)
CAS Number121311-78-2
PubChem CID56845925
IUPAC Name3,3,4,4-tetradeuteriohexanedioic acid
Molecular FormulaC6H10O4
Molecular Weight150.17
XLogP0.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
[2H]C([2H])(CC(=O)O)C([2H])([2H])CC(=O)O
InChI
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i1D2,2D2
InChIKey
WNLRTRBMVRJNCN-LNLMKGTHSA-N
Chemical Structure
2D Structure
2D structure of Adipic Acid-d4 (Major)
CAS: 121311-78-2
CID: 56845925
Formula: C6H10O4
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass150.08301578
Monoisotopic Mass150.08301578
Topological Polar Surface Area74.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
Isotope Atom Count4
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-W017522S2-01Adipic acid-d4
HY-W017522S5Adipic acid-d4-1
sc-291848Adipic acid-2,2,5,5-d4
R2032-05BRisedronic Acid-d4 (Major)
468513-01Ursodeoxycholic Acid-d4 (Major)
MBS3600971-01Adipic acid

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