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117-57-7 | 4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-
CAS No: 117-57-7 Catalog No: AG000DIJ MDL No:MFCD00044850
Product Description
Catalog Number:
AG000DIJ
Chemical Name:
4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-
CAS Number:
117-57-7
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD00044850
IUPAC Name:
3-hydroxy-2-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-6-10(13)9(11(14)15)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3,(H,14,15)
InChI Key:
RVGATDHHYVSTQG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)c(C)nc2c1cccc2
EC Number:
204-198-1
NSC Number:
64848
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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