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Pimelic Acid-d4

CAT: 0572-TRC-P445042-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P445042-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19031-56-2
Synonyms
Heptanedioic-2,2,6,6-d4 acid (9CI); Pimelic-2,2,6,6-d4 acid (8CI); 1,5-Pentanedicarboxylic-1,1,5,5-D4 acid; Pimelic acid-d4
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(CCCC([2H])([2H])C(=O)O)C(=O)O
Molecular Formula
C7 2H4 H8 O4
Molecular Weight
164.19
InChI
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/i4D2,5D2
Additionnal Information
IUPAC name: 2,2,6,6-tetradeuterioheptanedioic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pimelic Acid-d4
CAS Number19031-56-2
PubChem CID102602321
IUPAC Name2,2,6,6-tetradeuterioheptanedioic acid
Molecular FormulaC7H12O4
Molecular Weight164.19
XLogP0.5
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity125
SMILES
[2H]C([2H])(CCCC([2H])([2H])C(=O)O)C(=O)O
InChI
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/i4D2,5D2
InChIKey
WLJVNTCWHIRURA-CQOLUAMGSA-N
Chemical Structure
2D Structure
2D structure of Pimelic Acid-d4
CAS: 19031-56-2
CID: 102602321
Formula: C7H12O4
MW: 164.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.19
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass164.09866584
Monoisotopic Mass164.09866584
Topological Polar Surface Area74.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity125
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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