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854048-08-1 | Benzo[f]quinoline-5-sulfonicacid, 8-hydroxy-3-methyl-
CAS No: 854048-08-1 Catalog No: AG008FBT MDL No:
Product Description
Catalog Number:
AG008FBT
Chemical Name:
Benzo[f]quinoline-5-sulfonicacid, 8-hydroxy-3-methyl-
CAS Number:
854048-08-1
Molecular Formula:
C14H11NO4S
Molecular Weight:
289.3064
IUPAC Name:
8-hydroxy-3-methylbenzo[f]quinoline-5-sulfonic acid
InChI:
InChI=1S/C14H11NO4S/c1-8-2-4-12-11-5-3-10(16)6-9(11)7-13(14(12)15-8)20(17,18)19/h2-7,16H,1H3,(H,17,18,19)
InChI Key:
IALZLDNHQLQMNV-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)cc(c1c2ccc(n1)C)S(=O)(=O)O
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.305g/mol
Monoisotopic Mass:
289.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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