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87349-92-6 | 2,3,5,6-1H,4H-Tetrahydro-9-(3-pyridyl)quinolizino[9,9a,1-gh]coumarin
CAS No: 87349-92-6 Catalog No: AG00H07H MDL No:MFCD00467042
Product Description
Catalog Number:
AG00H07H
Chemical Name:
2,3,5,6-1H,4H-Tetrahydro-9-(3-pyridyl)quinolizino[9,9a,1-gh]coumarin
CAS Number:
87349-92-6
MDL Number:
MFCD00467042
IUPAC Name:
5-pyridin-3-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
InChI:
InChI=1S/C20H18N2O2/c23-20-17(14-4-1-7-21-12-14)11-15-10-13-5-2-8-22-9-3-6-16(18(13)22)19(15)24-20/h1,4,7,10-12H,2-3,5-6,8-9H2
InChI Key:
OEEAIIVRKIVRNX-UHFFFAOYSA-N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.376g/mol
Monoisotopic Mass:
318.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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