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89391-04-8 | 4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-
CAS No: 89391-04-8 Catalog No: AG0058GZ MDL No:MFCD16090149
Product Description
Catalog Number:
AG0058GZ
Chemical Name:
4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-
CAS Number:
89391-04-8
Molecular Formula:
C18H12N2O2
Molecular Weight:
288.3001
MDL Number:
MFCD16090149
IUPAC Name:
2-(1H-indol-3-yl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C18H12N2O2/c21-18(22)13-9-17(20-16-8-4-2-5-11(13)16)14-10-19-15-7-3-1-6-12(14)15/h1-10,19H,(H,21,22)
InChI Key:
DASAQOOBWVAYSB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.306g/mol
Monoisotopic Mass:
288.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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