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89240-50-6 | Indolo[2,3-a]quinolizine-1-carbonitrile, 3,4,6,7,12,12b-hexahydro-
CAS No: 89240-50-6 Catalog No: AG00432H MDL No:
Product Description
Catalog Number:
AG00432H
Chemical Name:
Indolo[2,3-a]quinolizine-1-carbonitrile, 3,4,6,7,12,12b-hexahydro-
CAS Number:
89240-50-6
Molecular Formula:
C16H15N3
Molecular Weight:
249.3104
IUPAC Name:
3,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-1-carbonitrile
InChI:
InChI=1S/C16H15N3/c17-10-11-4-3-8-19-9-7-13-12-5-1-2-6-14(12)18-15(13)16(11)19/h1-2,4-6,16,18H,3,7-9H2
InChI Key:
SWAOLAVSNMHIRB-UHFFFAOYSA-N
SMILES:
N#CC1=CCCN2C1c1[nH]c3c(c1CC2)cccc3
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.317g/mol
Monoisotopic Mass:
249.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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