Valproic Acid-d4

CAT: 1596-AR-V01084-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V01084-06Size:250 Units

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CAS Number

87745-17-3

Synonyms

2-propylpentanoic acid-D4; 3,3,3',3'-Tetradeuterovalproic Acid; 2- (Propyl-1,1-d2) -pentanoic-3,3-d2 Acid

Molecular Formula

C8H12O2D4

Molecular Weight

148.24

API Name

Valproic Acid

Chemical Information

Valproic acid-D4

CAS Number	87745-17-3
PubChem CID	76973098
IUPAC Name	3,3-dideuterio-2-(1,1-dideuteriopropyl)pentanoic acid
Molecular Formula	C8H16O2
Molecular Weight	148.24
XLogP	2.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	93

SMILES

[2H]C([2H])(CC)C(C(=O)O)C([2H])([2H])CC

InChI

InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i5D2,6D2

InChIKey

NIJJYAXOARWZEE-NZLXMSDQSA-N

Chemical Structure

2D Structure

CAS: 87745-17-3

CID: 76973098

Formula: C8H16O2

MW: 148.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.24
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	148.140136733
Monoisotopic Mass	148.140136733
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	93.4
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-V01083-01	Valproic Acid
AR-V06301-01	Valproic Acid-d6
AR-V01923-01	Valproic Acid Related Compound A
AR-V01924-01	Valproic Acid Ester Impurity
AR-V06294-01	Valproic Acid Impurity 7
AR-V06313-01	Valproic Acid Impurity 22
AR-V06303-01	Valproic Acid Impurity 12
AR-V07162-01	Valproic acid Impurity 1
AR-V06307-01	Valproic Acid Impurity 16
AR-V06305-01	Valproic Acid Impurity 14