267426-03-9
1-OXA-7-AZASPIRO[4.4]NONANE-8-CARBONITRILE, 6-OXO-7-(PHENYLMETHYL)-, (5R,8S)-REL-
Name1-OXA-7-AZASPIRO[4.4]NONANE-8-CARBONITRILE, 6-OXO-7-(PHENYLMETHYL)-, (5R,8S)-REL-
1Identification
【Name】
1-OXA-7-AZASPIRO[4.4]NONANE-8-CARBONITRILE, 6-OXO-7-(PHENYLMETHYL)-, (5R,8S)-REL-
【CAS】
【MDL】
MFCD13184550
【English Synonyms】
【Formula】
C15 H16 N2 O2
【MolWeight】
256.303
【Inchi】
InChI=1S/C15H16N2O2/c16-10-13-9-15(7-4-8-19-15)14(18)17(13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-9,11H2/t13-,15+/m0/s1
【InChIKey】
InChIKey=RLVNVBQUXWXCOE-DZGCQCFKSA-N
【SMILES】
c1ccc(cc1)CN2[C@@H](C[C@@]3(C2=O)CCCO3)C#N
【MOL File】
1-OXA-7-AZASPIRO[4.4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-OXA-7-AZASPIRO[4.4]NONANE-8-CARBONITRILE, 6-OXO-7-(PHENYLMETHYL)-, (5R,8S)-REL-.cml