SODIUM BICARBONATE

Relevant Data

Food Additives Approved by WHO:

SODIUM HYDROGEN CARBONATE [show]

Food Additives Approved by European Union:

Sodium hydrogenate carbonate [show]

General Information

Mainterm	SODIUM BICARBONATE
Doc Type	ASP
CAS Reg.No.(or other ID)	144-55-8
Regnum	178.1010 73.85 173.385 163.110 163.111 163.112 137.180 137.270 155.191 184.1736

From www.fda.gov

Computed Descriptors

2D Structure
CID	516892
IUPAC Name	sodium;hydrogen carbonate
InChI	InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChI Key	UIIMBOGNXHQVGW-UHFFFAOYSA-M
Canonical SMILES	C(=O)(O)[O-].[Na+]
Molecular Formula	NaHCO3
Wikipedia	sodium bicarbonate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	84.006
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Complexity	33.9
CACTVS Substructure Key Fingerprint	A A A D c Q A A M C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A g A A C A A A A A A A A A A A C A A A A g A I A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	60.4
Monoisotopic Mass	83.982
Exact Mass	83.982
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Organic carbonic acids
Intermediate Tree Nodes	Not available
Direct Parent	Organic carbonic acids
Alternative Parents	Hydrocarbon derivatives Organic sodium salts Carbonyl compounds Carbonate salts Organic oxides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carbonate salt - Carbonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.

From ClassyFire