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16703-95-0 | Phosphonic acid, (4-methoxybenzoyl)-, diethyl ester
CAS No: 16703-95-0 Catalog No: AG001X3H MDL No:
Product Description
Catalog Number:
AG001X3H
Chemical Name:
Phosphonic acid, (4-methoxybenzoyl)-, diethyl ester
CAS Number:
16703-95-0
Molecular Formula:
C12H17O5P
Molecular Weight:
272.2341
IUPAC Name:
diethoxyphosphoryl-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C12H17O5P/c1-4-16-18(14,17-5-2)12(13)10-6-8-11(15-3)9-7-10/h6-9H,4-5H2,1-3H3
InChI Key:
SDVRDVLYLCQGPF-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(=O)c1ccc(cc1)OC)OCC
NSC Number:
83222
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.237g/mol
Monoisotopic Mass:
272.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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