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816448-98-3 | 2-Quinolinecarboxylicacid, 7-ethyl-4-hydroxy-
CAS No: 816448-98-3 Catalog No: AG0051D0 MDL No:
Product Description
Catalog Number:
AG0051D0
Chemical Name:
2-Quinolinecarboxylicacid, 7-ethyl-4-hydroxy-
CAS Number:
816448-98-3
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
7-ethyl-4-oxo-1H-quinoline-2-carboxylic acid
InChI:
InChI=1S/C12H11NO3/c1-2-7-3-4-8-9(5-7)13-10(12(15)16)6-11(8)14/h3-6H,2H2,1H3,(H,13,14)(H,15,16)
InChI Key:
KGCWRLOIOPEFRH-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)nc(cc2O)C(=O)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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