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18276-81-8 | Phosphonic acid, P-[2-(4-methylphenyl)-2-oxoethyl]-, diethyl ester
CAS No: 18276-81-8 Catalog No: AG00244V MDL No:
Product Description
Catalog Number:
AG00244V
Chemical Name:
Phosphonic acid, P-[2-(4-methylphenyl)-2-oxoethyl]-, diethyl ester
CAS Number:
18276-81-8
Molecular Formula:
C13H19O4P
Molecular Weight:
270.2613
IUPAC Name:
2-diethoxyphosphoryl-1-(4-methylphenyl)ethanone
InChI:
InChI=1S/C13H19O4P/c1-4-16-18(15,17-5-2)10-13(14)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChI Key:
ZOJILZNLJIOADL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=O)c1ccc(cc1)C)OCC
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.265g/mol
Monoisotopic Mass:
270.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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