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179341-25-4 | 8-Quinolinesulfonic acid, 5-[(1,2-dihydro-2-oxo-3H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-
CAS No: 179341-25-4 Catalog No: AG0026Y5 MDL No:
Product Description
Catalog Number:
AG0026Y5
Chemical Name:
8-Quinolinesulfonic acid, 5-[(1,2-dihydro-2-oxo-3H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-
CAS Number:
179341-25-4
Molecular Formula:
C17H11N3O4S
Molecular Weight:
353.3519
IUPAC Name:
5-[(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]quinoline-8-sulfonic acid
InChI:
InChI=1S/C17H11N3O4S/c21-17-13(12-4-2-8-19-16(12)20-17)9-10-5-6-14(25(22,23)24)15-11(10)3-1-7-18-15/h1-9H,(H,19,20,21)(H,22,23,24)
InChI Key:
KQWHOKRIXPZREO-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=Cc1ccc(c3c1cccn3)S(=O)(=O)O)cccn2
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.047g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.352g/mol
Monoisotopic Mass:
353.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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