MALEIC ANHYDRIDE-DIISOBUTYLENE COPOLYMER, SODIUM SALT

General Information

Mainterm	MALEIC ANHYDRIDE-DIISOBUTYLENE COPOLYMER, SODIUM SALT
CAS Reg.No.(or other ID)	37199-81-8
Regnum	175.105 176.180

From www.fda.gov

Computed Descriptors

2D Structure
CID	61959
IUPAC Name	sodium;oxolane-2,5-dione;2,4,4-trimethylpent-1-ene
InChI	InChI=1S/C8H16.C4H4O3.Na/c1-7(2)6-8(3,4)5;5-3-1-2-4(6)7-3;/h1,6H2,2-5H3;1-2H2;/q;;+1
InChI Key	JHBKNJSZAQSDFP-UHFFFAOYSA-N
Canonical SMILES	CC(=C)CC(C)(C)C.C1CC(=O)OC1=O.[Na+]
Molecular Formula	C12H20NaO3+

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	235.279
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Complexity	185.0
CACTVS Substructure Key Fingerprint	A A A D c e B w M C A A A A A A A A A A A A A A A A A A A S 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 D g C A g A A C C A A A B A C I A g D S C A A A A A A g A A A A A A E A A A g A A B I A A Q A C A A A E g A A A A A A D A A A N A A A A A A 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	43.4
Monoisotopic Mass	235.131
Exact Mass	235.131
Compound Is Canonicalized	True
Formal Charge	1
Heavy Atom Count	16
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	Tetrahydrofurans Olefins Organic cations Branched unsaturated hydrocarbons Hydrocarbon derivatives Lactones Organic oxides Carboxylic acid anhydrides Oxacyclic compounds Organic alkali metal salts Carbonyl compounds Unsaturated aliphatic hydrocarbons
Molecular Framework	Not available
Substituents	Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Tetrahydrofuran - Branched unsaturated hydrocarbon - Lactone - Organoheterocyclic compound - Oxacycle - Organic alkali metal salt - Carbonyl group - Organic oxygen compound - Unsaturated aliphatic hydrocarbon - Hydrocarbon derivative - Organic salt - Organic oxide - Organooxygen compound - Olefin - Unsaturated hydrocarbon - Organic cation - Hydrocarbon - Aliphatic heteromonocyclic 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