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87750-65-0 | Phosphonic acid, [(1E)-2-(4-methylphenyl)ethenyl]-, diethyl ester
CAS No: 87750-65-0 Catalog No: AG004LJZ MDL No:
Product Description
Catalog Number:
AG004LJZ
Chemical Name:
Phosphonic acid, [(1E)-2-(4-methylphenyl)ethenyl]-, diethyl ester
CAS Number:
87750-65-0
Molecular Formula:
C13H19O3P
Molecular Weight:
254.2619
IUPAC Name:
1-(2-diethoxyphosphorylethenyl)-4-methylbenzene
InChI:
InChI=1S/C13H19O3P/c1-4-15-17(14,16-5-2)11-10-13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3
InChI Key:
DCYBSKYVUWLILF-UHFFFAOYSA-N
SMILES:
CCOP(=O)(/C=C/c1ccc(cc1)C)OCC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.107g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.266g/mol
Monoisotopic Mass:
254.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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