59773-01-2
2-PHENYL-5,6,7,8-TETRAHYDRO-4H-FURO[3,2-C]AZEPIN-4-ONE
Name2-PHENYL-5,6,7,8-TETRAHYDRO-4H-FURO[3,2-C]AZEPIN-4-ONE
1Identification
【Name】
2-PHENYL-5,6,7,8-TETRAHYDRO-4H-FURO[3,2-C]AZEPIN-4-ONE
【CAS】
【MDL】
MFCD23098531
【English Synonyms】
【Formula】
C14 H13 N O2
【MolWeight】
227.262
【Inchi】
InChI=1S/C14H13NO2/c16-14-11-9-13(10-5-2-1-3-6-10)17-12(11)7-4-8-15-14/h1-3,5-6,9H,4,7-8H2,(H,15,16)
【InChIKey】
InChIKey=OYGJBKGDFYFILK-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc3c(o2)CCCNC3=O
【MOL File】
2-PHENYL-5,6,7,8-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PHENYL-5,6,7,8-TETRAHYDRO-4H-FURO[3,2-C]AZEPIN-4-ONE.cml