71592-44-4
HEXAHYDRO-3-(3-HYDROXYPHENYL)-1-METHYL-2H-AZEPIN-2-ONE
NameHEXAHYDRO-3-(3-HYDROXYPHENYL)-1-METHYL-2H-AZEPIN-2-ONE
1Identification
【Name】
HEXAHYDRO-3-(3-HYDROXYPHENYL)-1-METHYL-2H-AZEPIN-2-ONE
【CAS】
【MDL】
MFCD19707315
【English Synonyms】
【Formula】
C13 H17 N O2
【MolWeight】
219.282
【Inchi】
InChI=1S/C13H17NO2/c1-14-8-3-2-7-12(13(14)16)10-5-4-6-11(15)9-10/h4-6,9,12,15H,2-3,7-8H2,1H3
【InChIKey】
InChIKey=IBNKFKLIUOMAQB-UHFFFAOYSA-N
【SMILES】
CN1CCCCC(C1=O)c2cccc(c2)O
【MOL File】
HEXAHYDRO-3-(3-HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HEXAHYDRO-3-(3-HYDROXYPHENYL)-1-METHYL-2H-AZEPIN-2-ONE.cml