Sodium 4-methyl-2-oxovalerate

CAT: 0024-sc-253577CSize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-253577CSize:25 g

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CAS Number

4502-00-5

Chemical Information

Sodium 4-methyl-2-oxovalerate

CAS Number	4502-00-5
PubChem CID	4137900
IUPAC Name	sodium 4-methyl-2-oxopentanoate
Molecular Formula	C6H9NaO3
Molecular Weight	152.12
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	131

SMILES

CC(C)CC(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1

InChIKey

IXFAZKRLPPMQEO-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 4502-00-5

CID: 4137900

Formula: C6H9NaO3

MW: 152.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.12
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	152.04493843
Monoisotopic Mass	152.04493843
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	131
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	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-295405A	Methyl 2-Oxovalerate
sc-295405	Methyl 2-Oxovalerate
sc-253028	Methyl 4-methyl-3-oxovalerate
sc-235782	Methyl 4,4-dimethoxy-3-oxovalerate
sc-250339	Methyl 2-chloro-3-oxovalerate
sc-250355A	Methyl 3-oxovalerate
sc-250355	Methyl 3-oxovalerate
sc-257772	Methyl 5-methoxy-3-oxovalerate
sc-255618	Sodium 2-methyl-2-propanethiolate
sc-491647	Methyl 4-hydroxybenzoate sodium salt

Catalog	Name
GTR19222617	4-methyl-2-Oxovalerate sodium salt
T35727-01	4-methyl-2-Oxovalerate (sodium salt)
OR1014969-01	Sodium 2-Methyl-4,5-Dihydrothiazole-4-Carboxylate
HY-W140351-01	2-Methyl-2-thiazoline-4-carboxylic acid (sodium)
OR318123	Sodium 2-methyl-2- (pyridin-4-yl) propanoate
TRC-M326425-1G	4-Methyl-2-oxovaleric Acid Sodium Salt
HY-W012722BS	4-Methyl-2-oxopentanoic acid-d7 (sodium)
JH708457	Sodium,4-methyl-2-oxochromen-7-olate
OR912284-01	4-Methyl-2-oxopentanoic acid sodium salt
HY-W012722BS1-01	4-Methyl-2-oxopentanoic acid-13C (sodium)