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100509-05-5 | Phosphoric acid, 4-(acetylamino)phenyl dimethyl ester
CAS No: 100509-05-5 Catalog No: AG00026R MDL No:
Product Description
Catalog Number:
AG00026R
Chemical Name:
Phosphoric acid, 4-(acetylamino)phenyl dimethyl ester
CAS Number:
100509-05-5
Molecular Formula:
C10H14NO5P
Molecular Weight:
259.1956
IUPAC Name:
(4-acetamidophenyl) dimethyl phosphate
InChI:
InChI=1S/C10H14NO5P/c1-8(12)11-9-4-6-10(7-5-9)16-17(13,14-2)15-3/h4-7H,1-3H3,(H,11,12)
InChI Key:
RXRMLVNDQUJRFD-UHFFFAOYSA-N
SMILES:
COP(=O)(Oc1ccc(cc1)NC(=O)C)OC
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.198g/mol
Monoisotopic Mass:
259.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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