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1018127-99-5 | 3-Quinolinecarboxylic acid, 4-amino-8-methoxy-
CAS No: 1018127-99-5 Catalog No: AG0005LW MDL No:MFCD11058008
Product Description
Catalog Number:
AG0005LW
Chemical Name:
3-Quinolinecarboxylic acid, 4-amino-8-methoxy-
CAS Number:
1018127-99-5
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD11058008
IUPAC Name:
4-amino-8-methoxyquinoline-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O3/c1-16-8-4-2-3-6-9(12)7(11(14)15)5-13-10(6)8/h2-5H,1H3,(H2,12,13)(H,14,15)
InChI Key:
UQCXQCSUKAOKBP-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ncc(c2N)C(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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