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1458370-28-9 | 8-Quinolinol, 1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-
CAS No: 1458370-28-9 Catalog No: AG001DGA MDL No:
Product Description
Catalog Number:
AG001DGA
Chemical Name:
8-Quinolinol, 1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
1458370-28-9
Molecular Formula:
C16H17NO3S
Molecular Weight:
303.3761
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
InChI:
InChI=1S/C16H17NO3S/c1-12-7-9-14(10-8-12)21(19,20)17-11-3-5-13-4-2-6-15(18)16(13)17/h2,4,6-10,18H,3,5,11H2,1H3
InChI Key:
IJELWSLHTLSEJM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCCc2c1c(O)ccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.376g/mol
Monoisotopic Mass:
303.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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