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Home > Quinoline > 105576-79-2
105576-79-2 | 2-(1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)benzoic acid
CAS No: 105576-79-2 Catalog No: AG00IUI2 MDL No:MFCD00207535
Product Description
Catalog Number:
AG00IUI2
Chemical Name:
2-(1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)benzoic acid
CAS Number:
105576-79-2
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD00207535
IUPAC Name:
2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid
InChI:
InChI=1S/C17H13NO3/c1-18-10-14(11-6-2-3-7-12(11)17(20)21)16(19)13-8-4-5-9-15(13)18/h2-10H,1H3,(H,20,21)
InChI Key:
WEFLANDBXLRUSP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1cn(C)c2c(c1=O)cccc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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