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Sodium bicarbonate- (13-C)

CAT: 0926-MDA08158Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-MDA08158Size:500 mg
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CAS Number
87081-58-1
MDL Number
MFCD00084061
Molecular Formula
CH2NaO3
Controlled
No

Chemical Information

Sodium hydrogencarbonate-13C
CAS Number87081-58-1
PubChem CID23693623
IUPAC Namesodium hydroxyformate
Molecular FormulaCHNaO3
Molecular Weight84.999
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity33
SMILES
[13C](=O)(O)[O-].[Na+]
InChI
InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1/i1+1;
InChIKey
UIIMBOGNXHQVGW-YTBWXGASSA-M
Chemical Structure
2D Structure
2D structure of Sodium hydrogencarbonate-13C
CAS: 87081-58-1
CID: 23693623
Formula: CHNaO3
MW: 84.999
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight84.999
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass84.98569301
Monoisotopic Mass84.98569301
Topological Polar Surface Area60.4 Ų
Heavy Atom Count5
Formal Charge0
Complexity33.9
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes