51509-98-9
8-PHENYL-1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILE
Name8-PHENYL-1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILE
1Identification
【Name】
8-PHENYL-1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILE
【CAS】
【MDL】
MFCD18253485
【English Synonyms】
【Formula】
C15 H17 N O2
【MolWeight】
243.304
【Inchi】
InChI=1S/C15H17NO2/c16-12-14(13-4-2-1-3-5-13)6-8-15(9-7-14)17-10-11-18-15/h1-5H,6-11H2
【InChIKey】
InChIKey=NGPVZFGEMDNOTA-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2(CCC3(CC2)OCCO3)C#N
【MOL File】
8-PHENYL-1,4-DIOXASP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-PHENYL-1,4-DIOXASPIRO[4.5]DECANE-8-CARBONITRILE.cml