857812-37-4
4-(CYANOMETHYL)-2-METHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID
Name4-(CYANOMETHYL)-2-METHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
4-(CYANOMETHYL)-2-METHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16878284
【English Synonyms】
【Formula】
C7 H7 N3 O2
【MolWeight】
165.151
【Inchi】
InChI=1S/C7H7N3O2/c1-4-9-5(2-3-8)6(10-4)7(11)12/h2H2,1H3,(H,9,10)(H,11,12)
【InChIKey】
InChIKey=YBVWNWQVOLECAE-UHFFFAOYSA-N
【SMILES】
Cc1[nH]c(c(n1)CC#N)C(=O)O
【MOL File】
4-(CYANOMETHYL)-2-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(CYANOMETHYL)-2-METHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID.cml