60798-08-5
4-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
Name4-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
1Identification
【Name】
4-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
【CAS】
【MDL】
MFCD11621800
【English Synonyms】
【Formula】
C11 H9 N3 O
【MolWeight】
199.212
【Inchi】
InChI=1S/C11H9N3O/c1-8-6-11(15)14(13-8)10-4-2-9(7-12)3-5-10/h2-5H,6H2,1H3
【InChIKey】
InChIKey=LDWDOWUYGPZPLX-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)c2ccc(cc2)C#N
【MOL File】
4-(3-METHYL-5-OXO-4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE.cml