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101153-04-2 | Phosphonocyanidic acid, methyl-, methyl ester (9CI)
CAS No: 101153-04-2 Catalog No: AG0003V9 MDL No:
Product Description
Catalog Number:
AG0003V9
Chemical Name:
Phosphonocyanidic acid, methyl-, methyl ester (9CI)
CAS Number:
101153-04-2
Molecular Formula:
C3H6NO2P
Molecular Weight:
119.0590
IUPAC Name:
[methoxy(methyl)phosphoryl]formonitrile
InChI:
InChI=1S/C3H6NO2P/c1-6-7(2,5)3-4/h1-2H3
InChI Key:
WQFPNRULSYYNJU-UHFFFAOYSA-N
SMILES:
CP(=O)(C#N)OC
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.06g/mol
Monoisotopic Mass:
119.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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