898761-50-7
3-CYANO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
Name3-CYANO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
1Identification
【Name】
3-CYANO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
【CAS】
【MDL】
MFCD03842185
【English Synonyms】
【Formula】
C22 H22 N2 O3
【MolWeight】
362.427
【Inchi】
InChI=1S/C22H22N2O3/c23-15-17-3-1-5-19(13-17)21(25)20-6-2-4-18(14-20)16-24-9-7-22(8-10-24)26-11-12-27-22/h1-6,13-14H,7-12,16H2
【InChIKey】
InChIKey=RCSQYHHWPCHNRA-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)c2cccc(c2)C#N)CN3CCC4(CC3)OCCO4
【MOL File】
3-CYANO-3'-[8-(1,4-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CYANO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE.cml