905807-56-9
1,3-DIHYDRO-IMIDAZOL-2-ONE-5-(4-CYANO)PHENYL-4-CARBOXYLIC ACID
Name1,3-DIHYDRO-IMIDAZOL-2-ONE-5-(4-CYANO)PHENYL-4-CARBOXYLIC ACID
1Identification
【Name】
1,3-DIHYDRO-IMIDAZOL-2-ONE-5-(4-CYANO)PHENYL-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08458293
【English Synonyms】
【Formula】
C11 H7 N3 O3
【MolWeight】
229.194
【Inchi】
InChI=1S/C11H7N3O3/c12-5-6-1-3-7(4-2-6)8-9(10(15)16)14-11(17)13-8/h1-4H,(H,15,16)(H2,13,14,17)
【InChIKey】
InChIKey=MPIIUCHLUJLNFK-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C#N)c2c([nH]c(=O)[nH]2)C(=O)O
【MOL File】
1,3-DIHYDRO-IMIDAZOL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIHYDRO-IMIDAZOL-2-ONE-5-(4-CYANO)PHENYL-4-CARBOXYLIC ACID.cml