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114684-69-4 | Acetic acid, 2-(diethoxyphosphinyl)-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 114684-69-4 Catalog No: AG000F0L MDL No:MFCD09878835
Product Description
Catalog Number:
AG000F0L
Chemical Name:
Acetic acid, 2-(diethoxyphosphinyl)-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
114684-69-4
Molecular Formula:
C15H22NO7P
Molecular Weight:
359.3114
MDL Number:
MFCD09878835
IUPAC Name:
methyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
InChI:
InChI=1S/C15H22NO7P/c1-4-22-24(19,23-5-2)13(14(17)20-3)16-15(18)21-11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,16,18)
InChI Key:
KREPFQCNXAYHAW-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C(=O)OC)NC(=O)OCc1ccccc1)OCC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.113g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.315g/mol
Monoisotopic Mass:
359.113g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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