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154325-32-3 | 8-(4-tolylsulfinyl)-2,3,4,4a,5,6,7,8-octahydro-4a-quinolinol
CAS No: 154325-32-3 Catalog No: AG00B8T7 MDL No:
Product Description
Catalog Number:
AG00B8T7
Chemical Name:
8-(4-tolylsulfinyl)-2,3,4,4a,5,6,7,8-octahydro-4a-quinolinol
CAS Number:
154325-32-3
IUPAC Name:
(4aR,8S)-8-[(S)-(4-methylphenyl)sulfinyl]-3,4,5,6,7,8-hexahydro-2H-quinolin-4a-ol
InChI:
InChI=1S/C16H21NO2S/c1-12-5-7-13(8-6-12)20(19)14-4-2-9-16(18)10-3-11-17-15(14)16/h5-8,14,18H,2-4,9-11H2,1H3/t14-,16+,20+/m0/s1
InChI Key:
UGSRDPGGJRFDGW-YYFZDKIDSA-N
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
291.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.409g/mol
Monoisotopic Mass:
291.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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