Diethyl allylphosphonate

CAT: 0024-sc-227837Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227837Size:5 g

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CAS Number

1067-87-4

Chemical Information

Diethyl allylphosphonate

CAS Number	1067-87-4
PubChem CID	573014
IUPAC Name	3-diethoxyphosphorylprop-1-ene
Molecular Formula	C7H15O3P
Molecular Weight	178.17
XLogP	0.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	146

SMILES

CCOP(=O)(CC=C)OCC

InChI

InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3

InChIKey

YPJHXRAHMUKXAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1067-87-4

CID: 573014

Formula: C7H15O3P

MW: 178.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.17
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	178.07588133
Monoisotopic Mass	178.07588133
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-268936	Dimethyl allylphosphonate
sc-202574A	Diethyl Pyrocarbonate
sc-257337	Diethyl ketomalonate
sc-257343	Diethyl oxalpropionate
sc-486313	Diethyl sulfite
sc-239729	Diethyl cyanomethylphosphonate
sc-234670	Diethyl suberate
sc-239742	Diethyl vinylphosphonate
sc-357334	Diethyl cromoglycate
sc-239738	Diethyl phthalate

Catalog	Name
BAA06787	Diethyl Allylphosphonate
D03230	Diallyl allylphosphonate
TRC-P359432-10MG	Diethyl phosphate-d10 (diethyl-d10)
D24360-01	Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076	Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975	Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
C6538-500	Diethyl fumarate
BA8017-25	Diethyl-pythiDC
CS-T-81223	Mefenpyr-diethyl
12311-44	Diethyl Pyrocarbonate