200,000+ products from a single source!
sales@angenechem.com
116273-51-9 | 1H-Imidazole-4-carboxylic acid, 2-methyl-5-nitro-
CAS No: 116273-51-9 Catalog No: AG000C3H MDL No:
Product Description
Catalog Number:
AG000C3H
Chemical Name:
1H-Imidazole-4-carboxylic acid, 2-methyl-5-nitro-
CAS Number:
116273-51-9
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
IUPAC Name:
2-methyl-5-nitro-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C5H5N3O4/c1-2-6-3(5(9)10)4(7-2)8(11)12/h1H3,(H,6,7)(H,9,10)
InChI Key:
ZHXPAPFCABVFBL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]c(nc1C(=O)O)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.112g/mol
Monoisotopic Mass:
171.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^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.