POLY(ETHYLENE-CO-ISOBUTYL ACRYLATE-CO-METHACRYLIC ACID), SODIUM SALT

General Information

Mainterm	POLY(ETHYLENE-CO-ISOBUTYL ACRYLATE-CO-METHACRYLIC ACID), SODIUM SALT
CAS Reg.No.(or other ID)	61615-65-4
Regnum	178.1005 177.1330

From www.fda.gov

Computed Descriptors

2D Structure
CID	23674257
IUPAC Name	sodium;ethene;4-methyl-2-methylidenepentanoate;2-methylprop-2-enoic acid
InChI	InChI=1S/C7H12O2.C4H6O2.C2H4.Na/c1-5(2)4-6(3)7(8)9;1-3(2)4(5)6;1-2;/h5H,3-4H2,1-2H3,(H,8,9);1H2,2H3,(H,5,6);1-2H2;/q;;;+1/p-1
InChI Key	YWBFFQNCNIZCQR-UHFFFAOYSA-M
Canonical SMILES	CC(C)CC(=C)C(=O)[O-].CC(=C)C(=O)O.C=C.[Na+]
Molecular Formula	C13H21NaO4

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	264.297
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Complexity	213.0
CACTVS Substructure Key Fingerprint	A A A D c e B w O 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 G g A A C A A A D Q C A g A A C C A A A A g C I A g D S C A A A A A A g A A A I A A E A A E g A B B I A A Q A A Q A A E g A A A E I C I A A A 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 = =
Topological Polar Surface Area	77.4
Monoisotopic Mass	264.134
Exact Mass	264.134
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	18
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	4

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Branched fatty acids
Direct Parent	Methyl-branched fatty acids
Alternative Parents	Olefins Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Unsaturated fatty acids Organic oxides Organic sodium salts Organic cations Carboxylic acids Unsaturated aliphatic hydrocarbons Carboxylic acid salts
Molecular Framework	Not available
Substituents	Methyl-branched fatty acid - Unsaturated fatty acid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Carbonyl group - Organic oxygen compound - Unsaturated aliphatic hydrocarbon - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Olefin - Organic oxide - Unsaturated hydrocarbon - Organic cation - Hydrocarbon - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.

From ClassyFire