54491-21-3
3-PHENYL-3A,4,5,6,7,7A-HEXAHYDRO-3H-BENZOFURAN-2-ONE
Name3-PHENYL-3A,4,5,6,7,7A-HEXAHYDRO-3H-BENZOFURAN-2-ONE
1Identification
【Name】
3-PHENYL-3A,4,5,6,7,7A-HEXAHYDRO-3H-BENZOFURAN-2-ONE
【CAS】
【MDL】
MFCD18431179
【English Synonyms】
【Formula】
C14 H16 O2
【MolWeight】
216.278
【Inchi】
InChI=1S/C14H16O2/c15-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-3,6-7,11-13H,4-5,8-9H2
【InChIKey】
InChIKey=NHZLOUXGQVISND-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2C3CCCCC3OC2=O
【MOL File】
3-PHENYL-3A,4,5,6,7,….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-PHENYL-3A,4,5,6,7,7A-HEXAHYDRO-3H-BENZOFURAN-2-ONE.cml