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Home > Nitro Compounds > 6944-76-9
6944-76-9 | 2(1H)-Pyrimidinone,4,6-bis(nitrosomethyl)-
CAS No: 6944-76-9 Catalog No: AG005M2Y MDL No:
Product Description
Catalog Number:
AG005M2Y
Chemical Name:
2(1H)-Pyrimidinone,4,6-bis(nitrosomethyl)-
CAS Number:
6944-76-9
Molecular Formula:
C6H6N4O3
Molecular Weight:
182.1368
IUPAC Name:
4,6-bis(nitrosomethyl)-1H-pyrimidin-2-one
InChI:
InChI=1S/C6H6N4O3/c11-6-9-4(2-7-12)1-5(10-6)3-8-13/h1H,2-3H2,(H,9,10,11)
InChI Key:
XDMFDKTZAPKCIW-UHFFFAOYSA-N
SMILES:
O=NCc1cc(CN=O)[nH]c(=O)n1
NSC Number:
58983
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.139g/mol
Monoisotopic Mass:
182.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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