Sodium hydrogenate carbonate

Relevant Data

Food Additives Approved in the United States

SODIUM BICARBONATE [show][hide]

Mainterm SODIUM BICARBONATE

Doc Type ASP

CAS number 144-55-8

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Food Additives Approved by WHO:

SODIUM HYDROGEN CARBONATE [show]

General Information

Chemical name	Sodium hydrogenate carbonate
E No.	E 500(ii)
INS.	500(ii)
CAS number	144-55-8
Group	No

From webgate.ec.europa.eu

Authorisation of the use of this additive in Food Additives

The additive is authorised to be used in the following category(ies):

category(ies)	Individual restriction(s)/exception(s)	footnote
Dehydrated milk as defined by Directive 2001/114/EC (1.5)(legislation:1129/2011, applicable as from 01/06/2013)	quantum satis
Ripened cheese (1.7.2)(legislation:1129/2011, applicable as from 01/06/2013)	quantum satis , only sour milk cheese

From webgate.ec.europa.eu

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