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121689-24-5 | 4-Quinolinecarboxylic acid, 8-mercapto-
CAS No: 121689-24-5 Catalog No: AG0015KZ MDL No:MFCD18821040
Product Description
Catalog Number:
AG0015KZ
Chemical Name:
4-Quinolinecarboxylic acid, 8-mercapto-
CAS Number:
121689-24-5
Molecular Formula:
C10H7NO2S
Molecular Weight:
205.2331
MDL Number:
MFCD18821040
IUPAC Name:
8-sulfanylquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H7NO2S/c12-10(13)7-4-5-11-9-6(7)2-1-3-8(9)14/h1-5,14H,(H,12,13)
InChI Key:
ZQNSYLKFHZTSKZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1cccc2S
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.231g/mol
Monoisotopic Mass:
205.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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