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Home > Nitro Compounds > 89854-42-2
89854-42-2 | 3-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-1-methyl-1-nitrosourea
CAS No: 89854-42-2 Catalog No: AG003XG3 MDL No:
Product Description
Catalog Number:
AG003XG3
Chemical Name:
3-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-1-methyl-1-nitrosourea
CAS Number:
89854-42-2
Molecular Formula:
C7H9N5O4
Molecular Weight:
227.1775
IUPAC Name:
3-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1-methyl-1-nitrosourea
InChI:
InChI=1S/C7H9N5O4/c1-12(11-16)7(15)9-3-4-2-8-6(14)10-5(4)13/h2H,3H2,1H3,(H,9,15)(H2,8,10,13,14)
InChI Key:
WPOPXYFSRHLARA-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)NCc1c[nH]c(=O)[nH]c1=O)C
NSC Number:
73314
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.18g/mol
Monoisotopic Mass:
227.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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