Crotoxyphos

C14H19O6PCAS 7700-17-6314.27 g/mol

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OPOOOOO
AlkeneEsterPhosphate

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
Double bonds
EE/Z, in SMILES order

Hazards

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

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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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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

Similar compounds

Mevinphos7786-34-754 % similar 1-Phenylethyl acetate93-92-545 % similar Dicrotophos141-66-243 % similar Monocrotophos6923-22-440 % similar 1-Phenylethyl propionate120-45-639 % similar Dimethyl-1,3-di(carbomethoxy)-1-propen-2-yl phosphate122-10-133 % similar Phenylmethanediol diacetate581-55-532 % similar Dihydrokavain587-63-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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