898761-47-2
2-CYANO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
Name2-CYANO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
1Identification
【Name】
2-CYANO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
【CAS】
【MDL】
MFCD03842184
【English Synonyms】
【Formula】
C22 H22 N2 O3
【MolWeight】
362.427
【Inchi】
InChI=1S/C22H22N2O3/c23-15-19-5-1-2-7-20(19)21(25)18-6-3-4-17(14-18)16-24-10-8-22(9-11-24)26-12-13-27-22/h1-7,14H,8-13,16H2
【InChIKey】
InChIKey=AHVODIBTTMXIJJ-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C#N)C(=O)c2cccc(c2)CN3CCC4(CC3)OCCO4
【MOL File】
2-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
2-CYANO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE.cml