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30267-44-8 | 1H,5H-Benzo[ij]quinolizine, 2,3,6,7-tetrahydro-9-(1H-inden-1-ylidenemethyl)-
CAS No: 30267-44-8 Catalog No: AG002ZET MDL No:
Product Description
Catalog Number:
AG002ZET
Chemical Name:
1H,5H-Benzo[ij]quinolizine, 2,3,6,7-tetrahydro-9-(1H-inden-1-ylidenemethyl)-
CAS Number:
30267-44-8
Molecular Formula:
C22H21N
Molecular Weight:
299.4088
IUPAC Name:
7-(inden-1-ylidenemethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
InChI:
InChI=1S/C22H21N/c1-2-8-21-17(5-1)9-10-18(21)13-16-14-19-6-3-11-23-12-4-7-20(15-16)22(19)23/h1-2,5,8-10,13-15H,3-4,6-7,11-12H2
InChI Key:
FFYXWTARKYNAGZ-UHFFFAOYSA-N
SMILES:
C1CN2CCCc3c2c(C1)cc(c3)C=C1C=Cc2c1cccc2
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.167g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.417g/mol
Monoisotopic Mass:
299.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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