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824421-17-2 | Acetamide, 2-isocyanato-N-methyl-
CAS No: 824421-17-2 Catalog No: AG0051H6 MDL No:
Product Description
Catalog Number:
AG0051H6
Chemical Name:
Acetamide, 2-isocyanato-N-methyl-
CAS Number:
824421-17-2
Molecular Formula:
C4H6N2O2
Molecular Weight:
114.1026
IUPAC Name:
2-isocyanato-N-methylacetamide
InChI:
InChI=1S/C4H6N2O2/c1-5-4(8)2-6-3-7/h2H2,1H3,(H,5,8)
InChI Key:
OIOREPTVPPVETP-UHFFFAOYSA-N
SMILES:
CNC(=O)CN=C=O
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.104g/mol
Monoisotopic Mass:
114.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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