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117196-73-3 | Phosphonic acid, P-(aminomethyl)-, diethyl ester, ethanedioate (1:1)
CAS No: 117196-73-3 Catalog No: AG000DWS MDL No:MFCD00800255
Product Description
Catalog Number:
AG000DWS
Chemical Name:
Phosphonic acid, P-(aminomethyl)-, diethyl ester, ethanedioate (1:1)
CAS Number:
117196-73-3
Molecular Formula:
C7H16NO7P
Molecular Weight:
257.1782
MDL Number:
MFCD00800255
IUPAC Name:
diethoxyphosphorylmethanamine;oxalic acid
InChI:
InChI=1S/C5H14NO3P.C2H2O4/c1-3-8-10(7,5-6)9-4-2;3-1(4)2(5)6/h3-6H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
OVHZWLGNOJBTDI-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCP(=O)(OCC)OCC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.179g/mol
Monoisotopic Mass:
257.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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