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854047-42-0 | Benzo[f]quinoline-2-carboxylicacid, 1-hydroxy-
CAS No: 854047-42-0 Catalog No: AG004TLV MDL No:
Product Description
Catalog Number:
AG004TLV
Chemical Name:
Benzo[f]quinoline-2-carboxylicacid, 1-hydroxy-
CAS Number:
854047-42-0
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
IUPAC Name:
1-oxo-4H-benzo[f]quinoline-2-carboxylic acid
InChI:
InChI=1S/C14H9NO3/c16-13-10(14(17)18)7-15-11-6-5-8-3-1-2-4-9(8)12(11)13/h1-7H,(H,15,16)(H,17,18)
InChI Key:
AGVXDOGCDADXNV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1O)c1ccccc1cc2
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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