858510-69-7
1H-IMIDAZOLE-4-ACETIC ACID, 2,3-DIHYDRO-5-METHYL-ALPHA-,2-DIOXO-
Name1H-IMIDAZOLE-4-ACETIC ACID, 2,3-DIHYDRO-5-METHYL-ALPHA-,2-DIOXO-
1Identification
【Name】
1H-IMIDAZOLE-4-ACETIC ACID, 2,3-DIHYDRO-5-METHYL-ALPHA-,2-DIOXO-
【CAS】
【MDL】
MFCD17018157
【English Synonyms】
【Formula】
C6 H6 N2 O4
【MolWeight】
170.123
【Inchi】
InChI=1S/C6H6N2O4/c1-2-3(4(9)5(10)11)8-6(12)7-2/h1H3,(H,10,11)(H2,7,8,12)
【InChIKey】
InChIKey=CARRBCYOGBLEQT-UHFFFAOYSA-N
【SMILES】
Cc1c([nH]c(=O)[nH]1)C(=O)C(=O)O
【MOL File】
1H-IMIDAZOLE-4-ACETI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-IMIDAZOLE-4-ACETIC ACID, 2,3-DIHYDRO-5-METHYL-ALPHA-,2-DIOXO-.cml