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Home > Pyridines > 127654-17-5
127654-17-5 | 5H-Pyrido[3,4-c][1]benzazepine-5-hexanoic acid, 10,11-dihydro-11-oxo-
CAS No: 127654-17-5 Catalog No: AG000X8K MDL No:
Product Description
Catalog Number:
AG000X8K
Chemical Name:
5H-Pyrido[3,4-c][1]benzazepine-5-hexanoic acid, 10,11-dihydro-11-oxo-
CAS Number:
127654-17-5
Molecular Formula:
C19H20N2O3
Molecular Weight:
324.3737
IUPAC Name:
6-(5-oxo-6,11-dihydropyrido[3,4-c][1]benzazepin-11-yl)hexanoic acid
InChI:
InChI=1S/C19H20N2O3/c22-18(23)9-3-1-2-6-13-14-10-11-20-12-16(14)19(24)21-17-8-5-4-7-15(13)17/h4-5,7-8,10-13H,1-3,6,9H2,(H,21,24)(H,22,23)
InChI Key:
GIOMQQZOMJZNMH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCC1c2ccccc2NC(=O)c2c1ccnc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.38g/mol
Monoisotopic Mass:
324.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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