SODIUM POLY(ISOPROPENYLPHOSPHONATE)

General Information

Mainterm	SODIUM POLY(ISOPROPENYLPHOSPHONATE)
CAS Reg.No.(or other ID)	118632-18-1
Regnum	176.170

From www.fda.gov

Computed Descriptors

2D Structure
CID	23712847
IUPAC Name	sodium;hydroxy(prop-1-en-2-yl)phosphinate
InChI	InChI=1S/C3H7O3P.Na/c1-3(2)7(4,5)6;/h1H2,2H3,(H2,4,5,6);/q;+1/p-1
InChI Key	BXBOSIKDGKRDHR-UHFFFAOYSA-M
Canonical SMILES	CC(=C)P(=O)(O)[O-].[Na+]
Molecular Formula	C3H6NaO3P

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	144.042
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Complexity	133.0
CACTVS Substructure Key Fingerprint	A A A D c Y B A M C I 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 g A C C A A C A C A A A A C A A A A A B C A Q A B C A I A A A A A A A A A A A A A A A A A A A A A A A Q 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	60.4
Monoisotopic Mass	143.995
Exact Mass	143.995
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	8
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 phosphonic acids and derivatives
Subclass	Organic phosphonic acids
Intermediate Tree Nodes	Not available
Direct Parent	Organic phosphonic acids
Alternative Parents	Organic cations Organophosphorus compounds Organic sodium salts Hydrocarbon derivatives Organic oxides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Organophosphonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organophosphorus compound - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.

From ClassyFire