54828-06-7
1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE-5-CARBOXYLIC ACID
Name1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD02642155
【English Synonyms】
【Formula】
C6 H7 N3 O4
【MolWeight】
185.138
【Inchi】
InChI=1S/C6H7N3O4/c1-3-7-5(9(12)13)4(6(10)11)8(3)2/h1-2H3,(H,10,11)
【InChIKey】
InChIKey=SBWTUWFTYZFCSZ-UHFFFAOYSA-N
【SMILES】
Cc1nc(c(n1C)C(=O)O)[N+](=O)[O-]
【MOL File】
1,2-DIMETHYL-4-NITRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE-5-CARBOXYLIC ACID.cml