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93906-12-8 | 1,2,3,6,7,9,10,10a-Octahydro-5H,8H-benzo[ij]quinolizin-8-one
CAS No: 93906-12-8 Catalog No: AG003AVO MDL No:
Product Description
Catalog Number:
AG003AVO
Chemical Name:
1,2,3,6,7,9,10,10a-Octahydro-5H,8H-benzo[ij]quinolizin-8-one
CAS Number:
93906-12-8
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
1-azatricyclo[7.3.1.05,13]tridec-5(13)-en-6-one
InChI:
InChI=1S/C12H17NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h9H,1-8H2
InChI Key:
MJPCLMUPYIYXAF-UHFFFAOYSA-N
SMILES:
O=C1CCC2C3=C1CCCN3CCC2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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