Valproic Acid Impurity 6

CAT: 1596-AR-V06293-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06293-02Size:25 Units

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CAS Number

30379-04-5

Molecular Formula

C9H16O5

Molecular Weight

204.22

API Name

Valproic acid

Chemical Information

Diethyl 2-(methoxymethyl)malonate

CAS Number	30379-04-5
PubChem CID	10987353
IUPAC Name	diethyl 2-(methoxymethyl)propanedioate
Molecular Formula	C9H16O5
Molecular Weight	204.22
XLogP	0.8
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	14
Formal Charge	0
Complexity	172

SMILES

CCOC(=O)C(COC)C(=O)OCC

InChI

InChI=1S/C9H16O5/c1-4-13-8(10)7(6-12-3)9(11)14-5-2/h7H,4-6H2,1-3H3

InChIKey

YMCFEHCCMXDRSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 30379-04-5

CID: 10987353

Formula: C9H16O5

MW: 204.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.22
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	204.09977361
Monoisotopic Mass	204.09977361
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172
Isotope Atom Count	0
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-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
AR-V06302-01	Valproic Acid Impurity 11
AR-V06310-01	Valproic Acid Impurity 19
AR-V06318-01	Valproic Acid Impurity 27