27022-28-2
(4AR,8AR)-REL-OCTAHYDRO-1,5-NAPHTHYRIDINE-2,6-DIONE
Name(4AR,8AR)-REL-OCTAHYDRO-1,5-NAPHTHYRIDINE-2,6-DIONE
1Identification
【Name】
(4AR,8AR)-REL-OCTAHYDRO-1,5-NAPHTHYRIDINE-2,6-DIONE
【CAS】
【MDL】
MFCD13184077
【English Synonyms】
【Formula】
C8 H12 N2 O2
【MolWeight】
168.195
【Inchi】
InChI=1S/C8H12N2O2/c11-7-3-1-5-6(10-7)2-4-8(12)9-5/h5-6H,1-4H2,(H,9,12)(H,10,11)/t5-,6-/m1/s1
【InChIKey】
InChIKey=CDGHGGRWDSEDDN-PHDIDXHHSA-N
【SMILES】
C1CC(=O)N[C@H]2[C@@H]1NC(=O)CC2
【MOL File】
(4AR,8AR)-REL-OCTAHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4AR,8AR)-REL-OCTAHYDRO-1,5-NAPHTHYRIDINE-2,6-DIONE.cml