184021-51-0
3-METHYL-5,6,7,8-TETRAHYDROCINNOLIN-5-ONE OXIME
Name3-METHYL-5,6,7,8-TETRAHYDROCINNOLIN-5-ONE OXIME
1Identification
【Name】
3-METHYL-5,6,7,8-TETRAHYDROCINNOLIN-5-ONE OXIME
【CAS】
【MDL】
MFCD00831959
【English Synonyms】
【Formula】
C9 H11 N3 O
【MolWeight】
177.206
【Inchi】
InChI=1S/C9H11N3O/c1-6-5-7-8(11-10-6)3-2-4-9(7)12-13/h5,13H,2-4H2,1H3/b12-9-
【InChIKey】
InChIKey=RQJCYFSGBHQJEV-XFXZXTDPSA-N
【SMILES】
Cc1cc\2c(nn1)CCC/C2=N/O
【MOL File】
3-METHYL-5,6,7,8-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-5,6,7,8-TETRAHYDROCINNOLIN-5-ONE OXIME.cml