Diallyl phenylphosphonate

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CAS Number

2948-89-2

Purity

=95%

Smiles

C=CCOP(=O)(OCC=C)c1ccccc1

Chemical Information

Diallyl phenylphosphonate

CAS Number	2948-89-2
PubChem CID	76282
IUPAC Name	bis(prop-2-enoxy)phosphorylbenzene
Molecular Formula	C12H15O3P
Molecular Weight	238.22
XLogP	2.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	253

SMILES

C=CCOP(=O)(C1=CC=CC=C1)OCC=C

InChI

InChI=1S/C12H15O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2

InChIKey

YSRMRWIQPVDQBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2948-89-2

CID: 76282

Formula: C12H15O3P

MW: 238.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.22
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	238.07588133
Monoisotopic Mass	238.07588133
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	253
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
OR1012875-01	Diethyl Phenylphosphonate
OR1015054-01	Sodium Phenylphosphonate
OR1022049	Dioctyl phenylphosphonate
OR1030540-01	Dioctyl Phenylphosphonate
OR1029438-01	Diphenyl Phenylphosphonate
IN12491-01	Zinc (II) phenylphosphonate
BUP18797-01	Diallyl phthalate
BUP17068	Diallyl disulfide
OR1044642-01	4-Nitrophenyl hydrogen phenylphosphonate
OR1078516-01	Diallyl Dicarbonate

Catalog	Name
447290-01	Dioctyl Phenylphosphonate
sc-487966	Dimethyl Phenylphosphonate
sc-268908	Diethyl phenylphosphonate
HY-120798-01	4-Nitrophenyl phenylphosphonate
D03200-01	Diallyl
FD59865-01	Diallyl disulfide
HY-117235-01	Diallyl Trisulfide
TRC-D416110-5G	Diallyl Succinate
HY-129422	Diallyl G
T36057-01	Diallyl Tetrasulfide