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859959-40-3 | 6-Quinolinecarboxylicacid, 8-sulfo-
CAS No: 859959-40-3 Catalog No: AG004Q2Q MDL No:
Product Description
Catalog Number:
AG004Q2Q
Chemical Name:
6-Quinolinecarboxylicacid, 8-sulfo-
CAS Number:
859959-40-3
Molecular Formula:
C10H7NO5S
Molecular Weight:
253.2313
IUPAC Name:
8-sulfoquinoline-6-carboxylic acid
InChI:
InChI=1S/C10H7NO5S/c12-10(13)7-4-6-2-1-3-11-9(6)8(5-7)17(14,15)16/h1-5H,(H,12,13)(H,14,15,16)
InChI Key:
CJJBOXZBYXLGJD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2cccnc2c(c1)S(=O)(=O)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.228g/mol
Monoisotopic Mass:
253.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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