(Diethoxyphosphinyl)acetic acid

C₆H₁₃O₅PCAS 3095-95-2196.14 g/mol

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Alcohol Carboxylic Acid Phosphate

Properties

Molecular formula: C₆H₁₃O₅P
Molar mass: 196.14 g/mol
Exact mass: 196.0501 Da
Density: 1.2308 g/mL (at 20 °C)
Boiling point: 95 °C (at 5 Torr)
logP: 1.34Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6

Identifiers

CAS number

3095-95-2

SMILES

CCOP(=O)(CC(=O)O)OCC

InChIKey

DVQMPWOLBFKUMM-UHFFFAOYSA-N

InChI

InChI=1S/C6H13O5P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names

Acetic acid, 2-(diethoxyphosphinyl)-
Acetic acid, phosphono-, P,P-diethyl ester
Acetic acid, (diethoxyphosphinyl)-
2-(Diethoxyphosphinyl)acetic acid
(Diethylphosphono)acetic acid
Diethyl carboxymethylphosphonate
Diethyl carboxymethanephosphonate
Diethoxyphosphorylacetic acid
NSC 272281
2-(Diethoxyphosphoryl)acetic acid

Work with (Diethoxyphosphinyl)acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Ethyl 2-(dimethoxyphosphinyl)acetate311-46-6

Elsewhere

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