chempirical

Benzyl dimethyl phosphonoacetate

C11H15O5PCAS 57443-18-2258.21 g/mol

Open in Covalent MOL file
OPOOOO
EsterPhosphonate

Properties

Molecular formula
C11H15O5P
Molar mass
258.21 g/mol
Exact mass
258.0657 Da
logP
2.22Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
57443-18-2
SMILES
COP(=O)(CC(=O)OCC1=CC=CC=C1)OC
InChIKey
QYLGNJMIOVHLQQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H15O5P/c1-14-17(13,15-2)9-11(12)16-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

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Names and synonyms

1 names
  • Benzyl dimethylphosphonoacetate

Work with Benzyl dimethyl phosphonoacetate

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

Dimethyl (2-oxo-4-phenylbutyl)phosphonate41162-19-059 % similar Dibenzyl succinate103-43-556 % similar Dibenzyl malonate15014-25-256 % similar Benzyl propionate122-63-455 % similar Ethyl (dimethoxyphosphinoyl)acetate311-46-655 % similar Benzyl methyl malonate52267-39-755 % similar Benzyl phenylacetate102-16-954 % similar Dimethyl P-(phenylmethyl)phosphonate773-47-754 % similar

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

Same formula

Dimethyl(3-phenoxy-2-oxopropyl)phosphonate40665-68-7

Elsewhere

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