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89353-47-9 | 3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-8-(1H-pyrrol-1-yl)-
CAS No: 89353-47-9 Catalog No: AG003Z8B MDL No:
Product Description
Catalog Number:
AG003Z8B
Chemical Name:
3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-8-(1H-pyrrol-1-yl)-
CAS Number:
89353-47-9
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
IUPAC Name:
4-oxo-8-pyrrol-1-yl-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C14H10N2O3/c17-13-9-4-3-5-11(16-6-1-2-7-16)12(9)15-8-10(13)14(18)19/h1-8H,(H,15,17)(H,18,19)
InChI Key:
VFOHIPHWSQPUSL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c(c1=O)cccc2n1cccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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