Sodium pyruvate- (13-C) 3

CAT: 0024-sc-251048Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-251048Size:500 mg

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CAS Number

142014-11-7

Chemical Information

Sodium pyruvate-13C3

CAS Number	142014-11-7
PubChem CID	16213477
IUPAC Name	sodium 2-oxo(1,2,3-13C3)propanoate
Molecular Formula	C3H3NaO3
Molecular Weight	113.022
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	88

SMILES

[13CH3][13C](=O)[13C](=O)[O-].[Na+]

InChI

InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i1+1,2+1,3+1;

InChIKey

DAEPDZWVDSPTHF-HCULJTSZSA-M

Chemical Structure

2D Structure

CAS: 142014-11-7

CID: 16213477

Formula: C3H3NaO3

MW: 113.022

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	113.022
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	113.00805274
Monoisotopic Mass	113.00805274
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	88.2
Isotope Atom Count	3
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
S024-5G	Sodium Pyruvate
529813	Pyruvate sodium