Name: Name:2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-nitro-
Brand: Angene
SKU: AG002VJ6
Rating: 90 (10 reviews)

2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-nitro-

CAS No.:

28495-88-7

Catalog Number:

AG002VJ6

Molecular Formula:

C5H5N3O4

Molecular Weight:

171.1109

Catalog Number:

AG002VJ6

Chemical Name:

2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-nitro-

CAS Number:

28495-88-7

Molecular Formula:

C5H5N3O4

Molecular Weight:

171.1109

MDL Number:

MFCD00267538

IUPAC Name:

1-methyl-5-nitropyrimidine-2,4-dione

InChI:

InChI=1S/C5H5N3O4/c1-7-2-3(8(11)12)4(9)6-5(7)10/h2H,1H3,(H,6,9,10)

InChI Key:

JTVBCXIVJCAUBK-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cn(C)c(=O)[nH]c1=O

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.112g/mol

Monoisotopic Mass:

171.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8