887576-77-4
3,4-DIHYDRO-1H-PYRIDO[3,4-B]AZEPINE-2,5-DIONE
Name3,4-DIHYDRO-1H-PYRIDO[3,4-B]AZEPINE-2,5-DIONE
1Identification
【Name】
3,4-DIHYDRO-1H-PYRIDO[3,4-B]AZEPINE-2,5-DIONE
【CAS】
【MDL】
MFCD06656947
【English Synonyms】
【Formula】
C9 H8 N2 O2
【MolWeight】
176.174
【Inchi】
InChI=1S/C9H8N2O2/c12-8-1-2-9(13)11-7-5-10-4-3-6(7)8/h3-5H,1-2H2,(H,11,13)
【InChIKey】
InChIKey=AIXRBNUZJXAHEQ-UHFFFAOYSA-N
【SMILES】
c1cncc2c1C(=O)CCC(=O)N2
【MOL File】
3,4-DIHYDRO-1H-PYRID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4-DIHYDRO-1H-PYRIDO[3,4-B]AZEPINE-2,5-DIONE.cml