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797763-23-6 | Phosphonic acid, [[4-(acetylamino)phenoxy]methyl]-, diethyl ester
CAS No: 797763-23-6 Catalog No: AG00506E MDL No:
Product Description
Catalog Number:
AG00506E
Chemical Name:
Phosphonic acid, [[4-(acetylamino)phenoxy]methyl]-, diethyl ester
CAS Number:
797763-23-6
Molecular Formula:
C13H20NO5P
Molecular Weight:
301.2754
IUPAC Name:
N-[4-(diethoxyphosphorylmethoxy)phenyl]acetamide
InChI:
InChI=1S/C13H20NO5P/c1-4-18-20(16,19-5-2)10-17-13-8-6-12(7-9-13)14-11(3)15/h6-9H,4-5,10H2,1-3H3,(H,14,15)
InChI Key:
YCNMZHDUHVZWLM-UHFFFAOYSA-N
SMILES:
CCOP(=O)(COc1ccc(cc1)NC(=O)C)OCC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.279g/mol
Monoisotopic Mass:
301.108g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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