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17279-34-4 | 2H-Benzo[a]quinolizine, 1,3,4,6,7,11b-hexahydro-, (S)-
CAS No: 17279-34-4 Catalog No: AG007VNZ MDL No:
Product Description
Catalog Number:
AG007VNZ
Chemical Name:
2H-Benzo[a]quinolizine, 1,3,4,6,7,11b-hexahydro-, (S)-
CAS Number:
17279-34-4
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
(11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
InChI:
InChI=1S/C13H17N/c1-2-6-12-11(5-1)8-10-14-9-4-3-7-13(12)14/h1-2,5-6,13H,3-4,7-10H2/t13-/m0/s1
InChI Key:
RHVCCFKUACIGSM-ZDUSSCGKSA-N
SMILES:
C1CCN2[C@@H](C1)c1ccccc1CC2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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