DISODIUM SUCCINATE

Relevant Data

Flavouring Substances Approved by European Union:

Succinic acid, disodium salt [show]

General Information

Mainterm	DISODIUM SUCCINATE
Doc Type	ASP
CAS Reg.No.(or other ID)	150-90-3
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	9020
IUPAC Name	disodium;butanedioate
InChI	InChI=1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2
InChI Key	ZDQYSKICYIVCPN-UHFFFAOYSA-L
Canonical SMILES	C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
Molecular Formula	C4H4Na2O4
Wikipedia	sodium succinate anhydrous

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	162.052
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Complexity	81.6
CACTVS Substructure Key Fingerprint	A A A D c Y B g O D A A A A A A A A A A A A A A A A A A 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 A A A A A C A C A g A A A 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 E A A A A A A B A A A A A A A A A E A A A A A A B D A A A A A A A A A A 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	80.3
Monoisotopic Mass	161.99
Exact Mass	161.99
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	10
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	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Fatty acids and conjugates Carboxylic acids Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.

From ClassyFire