Sodium 2-methylbutanoate

CAT: 0127-OR1055671-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1055671-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

4033-83-4

Purity

97%

Smiles

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

Chemical Information

Sodium 2-methylbutanoate

CAS Number	4033-83-4
PubChem CID	23716757
IUPAC Name	sodium 2-methylbutanoate
Molecular Formula	C5H9NaO2
Molecular Weight	124.11
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

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

InChI

InChI=1S/C5H10O2.Na/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H,6,7);/q;+1/p-1

InChIKey

WBSVNMZZKXXOGB-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 4033-83-4

CID: 23716757

Formula: C5H9NaO2

MW: 124.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	124.11
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	124.05002381
Monoisotopic Mass	124.05002381
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1014613-01	Phenethyl 2-methylbutanoate
OR1029221-01	Hexyl 2-Methylbutanoate
OR75969-01	Methyl 2-hydroxy-3-methylbutanoate
OR938251-01	Ethyl 2-acetyl-3-methylbutanoate
OR1012678-01	Cis-3-Hexenyl 2-Methylbutanoate
OR906634	Ethyl 2-isocyano-3-methylbutanoate
OR96370-01	2,5-Dimethoxybenzyl 3-methylbutanoate
OR98052	Methyl 3-methylbutanoate
OR1057339-01	(R) -Methyl 2-amino-2-methylbutanoate hydrochloride
OR1055151-01	4-Allyl-2-methoxyphenyl 3-methylbutanoate

Catalog	Name
JHD97572-01	Sodium 2- (hydroxymethyl) -3-methylbutanoate
WFC96435-01	Sodium 2-methanesulfonamido-3-methylbutanoate
HEA97582-01	Sodium 4-hydroxy-2-methylbutanoate
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RG-D090336-01	Sodium 2,2-Dichloroacetate
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AR-G02781-01	Sodium Gualenate Impurity 2 Sodium Salt
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C6559-1000	Sodium 2-hydroxybutanoate