AMMONIUM ACETATE

Relevant Data

Food Additives Approved by WHO:

AMMONIUM ACETATE [show]

General Information

Mainterm	AMMONIUM ACETATE
Doc Type	ASP
CAS Reg.No.(or other ID)	631-61-8
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	517165
IUPAC Name	azanium;acetate
InChI	InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3
InChI Key	USFZMSVCRYTOJT-UHFFFAOYSA-N
Canonical SMILES	CC(=O)[O-].[NH4+]
Molecular Formula	C2H7NO2
Wikipedia	ammonium acetate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	77.083
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Complexity	25.5
CACTVS Substructure Key Fingerprint	A A A D c Y B 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 G g A Q A A A A A A C A g A A C C A A A A A A I A A C Q 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	41.1
Monoisotopic Mass	77.048
Exact Mass	77.048
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	Carboxylic acids and derivatives
Subclass	Carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acids
Alternative Parents	Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic nitrogen compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.

From ClassyFire