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Home > Nitro Compounds > 180799-04-6
180799-04-6 | Pyrimidine, 5-nitroso-
CAS No: 180799-04-6 Catalog No: AG0022CG MDL No:
Product Description
Catalog Number:
AG0022CG
Chemical Name:
Pyrimidine, 5-nitroso-
CAS Number:
180799-04-6
Molecular Formula:
C4H3N3O
Molecular Weight:
109.0861
IUPAC Name:
5-nitrosopyrimidine
InChI:
InChI=1S/C4H3N3O/c8-7-4-1-5-3-6-2-4/h1-3H
InChI Key:
YZFUAIWTNMWSEP-UHFFFAOYSA-N
SMILES:
O=Nc1cncnc1
Properties
Complexity:
79.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.028g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.088g/mol
Monoisotopic Mass:
109.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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