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Home > Indoles and Oxindole > 80249-12-3
80249-12-3 | 2H-2,12-Methanoindolo[2,3-a]quinolizine, 1,3,4,6,7,12b-hexahydro-
CAS No: 80249-12-3 Catalog No: AG005C9J MDL No:
Product Description
Catalog Number:
AG005C9J
Chemical Name:
2H-2,12-Methanoindolo[2,3-a]quinolizine, 1,3,4,6,7,12b-hexahydro-
CAS Number:
80249-12-3
Molecular Formula:
C16H18N2
Molecular Weight:
238.3275
IUPAC Name:
1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene
InChI:
InChI=1S/C16H18N2/c1-2-4-14-12(3-1)13-6-8-17-7-5-11-9-15(17)16(13)18(14)10-11/h1-4,11,15H,5-10H2
InChI Key:
XPNJUBTWNWRGCD-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1CC3CCN4C(c1c2CC4)C3
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.334g/mol
Monoisotopic Mass:
238.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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