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116169-87-0 | 1H-Imidazole, 1-methyl-2-nitroso-
CAS No: 116169-87-0 Catalog No: AG000BT3 MDL No:
Product Description
Catalog Number:
AG000BT3
Chemical Name:
1H-Imidazole, 1-methyl-2-nitroso-
CAS Number:
116169-87-0
Molecular Formula:
C4H5N3O
Molecular Weight:
111.1020
IUPAC Name:
1-methyl-2-nitrosoimidazole
InChI:
InChI=1S/C4H5N3O/c1-7-3-2-5-4(7)6-8/h2-3H,1H3
InChI Key:
DQGMASZUGMDEFA-UHFFFAOYSA-N
SMILES:
O=Nc1nccn1C
UNII:
FN48115PKU
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.104g/mol
Monoisotopic Mass:
111.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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