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Home > Quinoline > 1422068-36-7
1422068-36-7 | (3aS,9bR)-5-methylsulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinoline
CAS No: 1422068-36-7 Catalog No: AG01DHPM MDL No:
Product Description
Catalog Number:
AG01DHPM
Chemical Name:
(3aS,9bR)-5-methylsulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinoline
CAS Number:
1422068-36-7
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
IUPAC Name:
(3aS,9bR)-5-methylsulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinoline
InChI:
InChI=1S/C12H16N2O2S/c1-17(15,16)14-8-9-6-13-7-11(9)10-4-2-3-5-12(10)14/h2-5,9,11,13H,6-8H2,1H3/t9-,11+/m0/s1
InChI Key:
GBEGFPMVTJOFGO-GXSJLCMTSA-N
SMILES:
CS(=O)(=O)N1C[C@@H]2CNC[C@H]2c2c1cccc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
252.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.332g/mol
Monoisotopic Mass:
252.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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