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Valproic acid sodium salt 1g

CAT: 0628-A10855-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A10855-1000Size:1000 mg
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CAS Number
1069-66-5

Chemical Information

Sodium Valproate

Valproate (Valproic acid) can cause developmental toxicity according to an independent committee of scientific and health experts.

CAS Number1069-66-5
PubChem CID16760703
IUPAC Namesodium 2-propylpentanoate
Molecular FormulaC8H15NaO2
Molecular Weight166.19
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity98
SMILES
CCCC(CCC)C(=O)[O-].[Na+]
InChI
InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKey
AEQFSUDEHCCHBT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Valproate
CAS: 1069-66-5
CID: 16760703
Formula: C8H15NaO2
MW: 166.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.19
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass166.09697400
Monoisotopic Mass166.09697400
Topological Polar Surface Area40.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity98.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes