52196-99-3
1,4,5,6,7,8-HEXAHYDRO-3H-ISOXAZOLO[3,4-D]AZEPIN-3-ONE
Name1,4,5,6,7,8-HEXAHYDRO-3H-ISOXAZOLO[3,4-D]AZEPIN-3-ONE
1Identification
【Name】
1,4,5,6,7,8-HEXAHYDRO-3H-ISOXAZOLO[3,4-D]AZEPIN-3-ONE
【CAS】
【MDL】
MFCD18818288
【English Synonyms】
【Formula】
C7 H10 N2 O2
【MolWeight】
154.168
【Inchi】
InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8-9H,1-4H2
【InChIKey】
InChIKey=HJYDVFJJXSVJQI-UHFFFAOYSA-N
【SMILES】
C1CNCCc2c1c(=O)o[nH]2
【MOL File】
1,4,5,6,7,8-HEXAHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4,5,6,7,8-HEXAHYDRO-3H-ISOXAZOLO[3,4-D]AZEPIN-3-ONE.cml