Home Carboxys 6-Quinolinecarboxylicacid, 4-methyl-

6-Quinolinecarboxylicacid, 4-methyl-

CAS No.:
7101-68-0
Catalog Number:
AG005PAH
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG005PAH
Chemical Name:
6-Quinolinecarboxylicacid, 4-methyl-
CAS Number:
7101-68-0
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD02690166
IUPAC Name:
4-methylquinoline-6-carboxylic acid
InChI:
InChI=1S/C11H9NO2/c1-7-4-5-12-10-3-2-8(11(13)14)6-9(7)10/h2-6H,1H3,(H,13,14)
InChI Key:
CPOLAGTVBYOMKS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(C)ccn2
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties