AMMONIUM BICARBONATE

Relevant Data

Food Additives Approved by WHO:

AMMONIUM HYDROGEN CARBONATE [show]

General Information

Mainterm	AMMONIUM BICARBONATE
Doc Type	ASP
CAS Reg.No.(or other ID)	1066-33-7
Regnum	73.85 163.110 163.111 163.112 184.1135

From www.fda.gov

Computed Descriptors

2D Structure
CID	14013
IUPAC Name	azanium;hydrogen carbonate
InChI	InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3
InChI Key	ATRRKUHOCOJYRX-UHFFFAOYSA-N
Canonical SMILES	C(=O)(O)[O-].[NH4+]
Molecular Formula	CH5NO3
Wikipedia	Ammonium bicarbonate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	79.055
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Complexity	24.8
CACTVS Substructure Key Fingerprint	A A A D c Y A C M 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 g A Q 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	61.4
Monoisotopic Mass	79.027
Exact Mass	79.027
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 nitrogen compounds Organic oxides Carbonate salts Carbonyl compounds Organic salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carbonate salt - Carbonic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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