55713-43-4
3,6,6-TRIMETHYL-5H,6H,7H-CYCLOPENTA[C]PYRIDIN-7-ONE
Name3,6,6-TRIMETHYL-5H,6H,7H-CYCLOPENTA[C]PYRIDIN-7-ONE
1Identification
【Name】
3,6,6-TRIMETHYL-5H,6H,7H-CYCLOPENTA[C]PYRIDIN-7-ONE
【CAS】
【MDL】
MFCD18972797
【English Synonyms】
【Formula】
C11 H13 N O
【MolWeight】
175.23
【Inchi】
InChI=1S/C11H13NO/c1-7-4-8-5-11(2,3)10(13)9(8)6-12-7/h4,6H,5H2,1-3H3
【InChIKey】
InChIKey=HYJJCDYHALXOAS-UHFFFAOYSA-N
【SMILES】
Cc1cc2c(cn1)C(=O)C(C2)(C)C
【MOL File】
3,6,6-TRIMETHYL-5H,6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,6,6-TRIMETHYL-5H,6H,7H-CYCLOPENTA[C]PYRIDIN-7-ONE.cml