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24610-95-5 | Phosphonic acid, P-[[(1-oxo-2-propen-1-yl)amino]methyl]-, dimethyl ester
CAS No: 24610-95-5 Catalog No: AG002ORT MDL No:
Product Description
Catalog Number:
AG002ORT
Chemical Name:
Phosphonic acid, P-[[(1-oxo-2-propen-1-yl)amino]methyl]-, dimethyl ester
CAS Number:
24610-95-5
Molecular Formula:
C6H12NO4P
Molecular Weight:
193.1375
IUPAC Name:
N-(dimethoxyphosphorylmethyl)prop-2-enamide
InChI:
InChI=1S/C6H12NO4P/c1-4-6(8)7-5-12(9,10-2)11-3/h4H,1,5H2,2-3H3,(H,7,8)
InChI Key:
OLKYWAGUBPTLHH-UHFFFAOYSA-N
SMILES:
C=CC(=O)NCP(=O)(OC)OC
EC Number:
246-353-6
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.139g/mol
Monoisotopic Mass:
193.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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