127653-90-1
PENTANOIC ACID, 5-(5,6-DIHYDRO-5-OXO-11H-PYRIDO(4,3-C)(1)BENZAZEPIN-11-YLIDENE)-
NamePENTANOIC ACID, 5-(5,6-DIHYDRO-5-OXO-11H-PYRIDO(4,3-C)(1)BENZAZEPIN-11-YLIDENE)-
1Identification
【Name】
PENTANOIC ACID, 5-(5,6-DIHYDRO-5-OXO-11H-PYRIDO(4,3-C)(1)BENZAZEPIN-11-YLIDENE)-
【CAS】
【MDL】
MFCD01763200
【English Synonyms】
【Formula】
C18 H16 N2 O3
【MolWeight】
308.335
【Inchi】
InChI=1S/C18H16N2O3/c21-17(22)8-4-2-5-12-13-6-1-3-7-16(13)20-18(23)14-9-10-19-11-15(12)14/h1,3,5-7,9-11H,2,4,8H2,(H,20,23)(H,21,22)/b12-5-
【InChIKey】
InChIKey=OHOKOCUYERJWFG-XGICHPGQSA-N
【SMILES】
c1ccc2c(c1)/C(=C/CCCC(=O)O)/c3cnccc3C(=O)N2
【MOL File】
PENTANOIC ACID, 5-(5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PENTANOIC ACID, 5-(5,6-DIHYDRO-5-OXO-11H-PYRIDO(4,3-C)(1)BENZAZEPIN-11-YLIDENE)-.cml