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Hexacosanoic Acid-d4

CAT: 0572-TRC-H290912-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H290912-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1194984-85-4
Synonyms
Cerotic Acid-d4; Ceratinic Acid-d4; Ceric Acid-d4; Cerinic Acid-d4; Cerylic Acid-d4; NSC 4205-d4; n-Hexacosanoic Acid-d4; Hexacosanoic-12,12,13,13-d4 Acid
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(CCCCCCCCCCCCC)C([2H])([2H])CCCCCCCCCCC(=O)O
Molecular Formula
C26 D4 H48 O2
Molecular Weight
400.71
InChI
InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)/i14D2,15D2
Additionnal Information
IUPAC name: 12,12,13,13-tetradeuteriohexacosanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Hexacosanoic acid-d4

See also: Hexacosanoic Acid (annotation moved to); Cerotate (annotation moved to).

CAS Number1194984-85-4
PubChem CID91555690
IUPAC Name12,12,13,13-tetradeuteriohexacosanoic acid
Molecular FormulaC26H52O2
Molecular Weight400.7
XLogP11.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count24
Heavy Atom Count28
Formal Charge0
Complexity301
SMILES
[2H]C([2H])(CCCCCCCCCCCCC)C([2H])([2H])CCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)/i14D2,15D2
InChIKey
XMHIUKTWLZUKEX-QZPARXMSSA-N
Chemical Structure
2D Structure
2D structure of Hexacosanoic acid-d4
CAS: 1194984-85-4
CID: 91555690
Formula: C26H52O2
MW: 400.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.7
XLogP311.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count24
Exact Mass400.421837881
Monoisotopic Mass400.421837881
Topological Polar Surface Area37.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity301
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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