200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 157119-78-3
157119-78-3 | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-3-propyl-
CAS No: 157119-78-3 Catalog No: AG001P94 MDL No:
Product Description
Catalog Number:
AG001P94
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-3-propyl-
CAS Number:
157119-78-3
Molecular Formula:
C8H11N3O4
Molecular Weight:
213.1906
IUPAC Name:
6-methyl-5-nitro-3-propyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C8H11N3O4/c1-3-4-10-7(12)6(11(14)15)5(2)9-8(10)13/h3-4H2,1-2H3,(H,9,13)
InChI Key:
CZRQKJMIOGNEIQ-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)[nH]c(c(c1=O)[N+](=O)[O-])C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.193g/mol
Monoisotopic Mass:
213.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.