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1263284-48-5 | 4-Quinolinecarboxylic acid, 3-hydroxy-6-methoxy-, methyl ester
CAS No: 1263284-48-5 Catalog No: AG000SM8 MDL No:
Product Description
Catalog Number:
AG000SM8
Chemical Name:
4-Quinolinecarboxylic acid, 3-hydroxy-6-methoxy-, methyl ester
CAS Number:
1263284-48-5
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
methyl 3-hydroxy-6-methoxyquinoline-4-carboxylate
InChI:
InChI=1S/C12H11NO4/c1-16-7-3-4-9-8(5-7)11(12(15)17-2)10(14)6-13-9/h3-6,14H,1-2H3
InChI Key:
UQZXENXVBAKDBY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C(=O)OC)c(cn2)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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