Isopropenylphosphonic acid

HCID 557541

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Basic information

CAS: 4721-36-2
Standard SMILES: C=C(C)P(=O)(O)O
InChIKey: YOKDQEBPBYOXHX-UHFFFAOYSA-N
Molecular formula: C3H7O3P
Average molar mass: 122.06 g/mol
Monoisotopic mass: 122.01328071

Names & identifiers

Preferred name: Isopropenylphosphonic acid
IUPAC: prop-1-en-2-ylphosphonic acid
English name: 2-METHYLVINYLPHOSPHONIC ACID
Molecular formula: C3H7O3P
Molecular weight: 122.06

Names & synonyms

Isopropenylphosphonic acid4721-36-2Phosphonic acid, (1-methylethenyl)-VOE0XIS78JPhosphonic acid, P-(1-methylethenyl)-DTXSID50635721-PROPENE-2-PHOSPHONIC ACIDPHOSPHONIC ACID, ISOPROPENYL-RefChem:792098DTXCID6040539prop-1-en-2-ylphosphonic acidUNII-VOE0XIS78J

Show more names

PROPYLENE PHOSPHONIC ACID2-Methylvinylphosphonic acid ,98 %

Phosphonic acid,P-(1-methylethenyl)-MFCD080632322-METHYLVINYLPHOSPHONIC ACIDIsopropenyl phosphonic acid1-Methylvinylphosphonic acidIsopropenylphosphonic acid #SCHEMBL335788AKOS006283997

Database identifiers

CAS: 4721-36-2
PubChem CID: 557541
DTXSID: DTXSID5063572
UNII: VOE0XIS78J
Nikkaji: J922.957D

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 122

Experimental & physicochemical properties

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physicochemical properties

Boiling point: 267.2 · 267.2±23.0 °C(Predicted)
Density: 1.325 · 1.325±0.06 g/cm3(Predicted)
pka: 1.35 · 1.35±0.10(Predicted)
FDA UNII: 0 XIS78J · VOE0XIS78J
EPA Substance Registry System: Phosphonic acid, (1-methylethenyl)- (4721-36-2)
TSCA: TSCA listed