chempirical

Crotoxyphos

C14H19O6PCAS 7700-17-6314.27 g/mol

Open in Covalent MOL file
OPOOOOO
EsterPhosphate

Properties

Molecular formula
C14H19O6P
Molar mass
314.27 g/mol
Exact mass
314.0919 Da
Density
1.19 g/mL (at 25 °C)
Boiling point
135 °C (at 0.03 Torr)
logP
3.61Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Identifiers

CAS number
7700-17-6
SMILES
COP(=O)(OC)O/C(C)=C/C(=O)OC(C)c1ccccc1
InChIKey
XXXSILNSXNPGKG-ZHACJKMWNA-N
InChI
InChI=1/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+

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

Names and synonyms

13 names · show all
  • 2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, 1-phenylethyl ester, (2E)-
  • Crotonic acid, 3-hydroxy-, α-methylbenzyl ester, dimethyl phosphate, (E)-
  • 2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, 1-phenylethyl ester, (E)-
  • Ciodrin
  • SD 4294
  • 3-Hydroxycrotonic acid α-methylbenzyl ester dimethyl phosphate
  • O,O-Dimethyl O-[1-methyl-2-(1-phenylcarbethoxy)vinyl] phosphate
  • Dimethyl 2-(α-methylbenzyloxycarbonyl)-1-methylvinyl phosphate
  • Cyodrin
  • Volfazol
  • Pantozol 1
  • trans-Crotoxyphos
  • Crotoxyfos

Work with Crotoxyphos

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

Elsewhere

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