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864433-55-6 | 3-(4-Hydroxy-8-methoxy-2-methyl-quinolin-3-yl)-propionic acid
CAS No: 864433-55-6 Catalog No: AG01EXWU MDL No:
Product Description
Catalog Number:
AG01EXWU
Chemical Name:
3-(4-Hydroxy-8-methoxy-2-methyl-quinolin-3-yl)-propionic acid
CAS Number:
864433-55-6
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
IUPAC Name:
3-(8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanoic acid
InChI:
InChI=1S/C14H15NO4/c1-8-9(6-7-12(16)17)14(18)10-4-3-5-11(19-2)13(10)15-8/h3-5H,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChI Key:
FNSBIMJVBZWKFK-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(C)c(c2O)CCC(=O)O
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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