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5840-01-7 | 5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline
CAS No: 5840-01-7 Catalog No: AG003M9Z MDL No:MFCD09841910
Product Description
Catalog Number:
AG003M9Z
Chemical Name:
5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline
CAS Number:
5840-01-7
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD09841910
IUPAC Name:
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
InChI:
InChI=1S/C11H11N/c1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1,3-4,6,8H,2,5,7H2
InChI Key:
QCCKSFHMARIKSK-UHFFFAOYSA-N
SMILES:
c1cc2CCCn3c2c(c1)cc3
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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