Ethyl (dimethoxyphosphinoyl)acetate

C₆H₁₃O₅PCAS 311-46-6196.14 g/mol

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Ester Phosphonate

Properties

Molecular formula: C₆H₁₃O₅P
Molar mass: 196.14 g/mol
Exact mass: 196.0501 Da
Density: 1.2053 g/mL (at 0 °C)
Boiling point: 134.5–135 °C (at 10 Torr)
logP: 1.04Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

311-46-6

SMILES

CCOC(=O)CP(=O)(OC)OC

InChIKey

HUNISAHOCCASGM-UHFFFAOYSA-N

InChI

InChI=1S/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3

Weigh it out

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

Names and synonyms

9 names

Ethyl 2-(dimethoxyphosphinyl)acetate
Acetic acid, 2-(dimethoxyphosphinyl)-, ethyl ester
Acetic acid, phosphono-, 1-ethyl dimethyl ester
Acetic acid, (dimethoxyphosphinyl)-, ethyl ester
Ethyl O,O-dimethylphosphonoacetate
Ethyl dimethoxyphosphonoacetate
Ethyl (dimethoxyphosphinyl)acetate
Ethyl (dimethylphosphono)acetate
Ethyl 2-(dimethoxyphosphoryl)acetate

Work with Ethyl (dimethoxyphosphinoyl)acetate

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

Similar compounds

Triethyl phosphonoacetate867-13-070 % similar Trimethyl phosphonoacetate5927-18-463 % similar tert-Butyl Dimethylphosphonoacetate62327-21-356 % similar Benzyl dimethyl phosphonoacetate57443-18-255 % similar Methyl (diethylphosphono)acetate1067-74-953 % similar Ethyl 2-methoxyacetate3938-96-352 % similar Triethyl 3-phosphonopropionate3699-67-051 % similar Dimethyl P-(2-oxopropyl)phosphonate4202-14-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(Diethoxyphosphinyl)acetic acid3095-95-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook