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1198227-74-5 | Phosphonic acid, P-[[4-(acetyloxy)phenyl]methyl]-, diethyl ester
CAS No: 1198227-74-5 Catalog No: AG000PPN MDL No:
Product Description
Catalog Number:
AG000PPN
Chemical Name:
Phosphonic acid, P-[[4-(acetyloxy)phenyl]methyl]-, diethyl ester
CAS Number:
1198227-74-5
Molecular Formula:
C13H19O5P
Molecular Weight:
286.2607
IUPAC Name:
[4-(diethoxyphosphorylmethyl)phenyl] acetate
InChI:
InChI=1S/C13H19O5P/c1-4-16-19(15,17-5-2)10-12-6-8-13(9-7-12)18-11(3)14/h6-9H,4-5,10H2,1-3H3
InChI Key:
QKKPAQUUCAVAQE-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccc(cc1)OC(=O)C)OCC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.264g/mol
Monoisotopic Mass:
286.097g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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