526212-02-2
1H-IMIDAZOLE-1-CARBONITRILE,2,3-DIHYDRO-4,5-DIMETHYL-2-OXO-
Name1H-IMIDAZOLE-1-CARBONITRILE,2,3-DIHYDRO-4,5-DIMETHYL-2-OXO-
1Identification
【Name】
1H-IMIDAZOLE-1-CARBONITRILE,2,3-DIHYDRO-4,5-DIMETHYL-2-OXO-
【CAS】
【MDL】
MFCD18808473
【English Synonyms】
【Formula】
C6 H7 N3 O
【MolWeight】
137.141
【Inchi】
InChI=1S/C6H7N3O/c1-4-5(2)9(3-7)6(10)8-4/h1-2H3,(H,8,10)
【InChIKey】
InChIKey=FOJCQGSCRHNZMC-UHFFFAOYSA-N
【SMILES】
Cc1c(n(c(=O)[nH]1)C#N)C
【MOL File】
1H-IMIDAZOLE-1-CARBO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-IMIDAZOLE-1-CARBONITRILE,2,3-DIHYDRO-4,5-DIMETHYL-2-OXO-.cml