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89838-72-2 | Phosphonic acid, [[acetyl(cyanomethyl)amino]methyl]-, dimethyl ester
CAS No: 89838-72-2 Catalog No: AG003XEV MDL No:
Product Description
Catalog Number:
AG003XEV
Chemical Name:
Phosphonic acid, [[acetyl(cyanomethyl)amino]methyl]-, dimethyl ester
CAS Number:
89838-72-2
Molecular Formula:
C7H13N2O4P
Molecular Weight:
220.1629
IUPAC Name:
N-(cyanomethyl)-N-(dimethoxyphosphorylmethyl)acetamide
InChI:
InChI=1S/C7H13N2O4P/c1-7(10)9(5-4-8)6-14(11,12-2)13-3/h5-6H2,1-3H3
InChI Key:
PIIZDFUUGSMWAW-UHFFFAOYSA-N
SMILES:
N#CCN(C(=O)C)CP(=O)(OC)OC
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.165g/mol
Monoisotopic Mass:
220.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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