Home Carboxys 2,4-Dimethylquinoline-3-carboxylic acid

2,4-Dimethylquinoline-3-carboxylic acid

CAS No.:
104785-55-9
Catalog Number:
AG0085OT
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
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Product Description
Catalog Number:
AG0085OT
Chemical Name:
2,4-Dimethylquinoline-3-carboxylic acid
CAS Number:
104785-55-9
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD07324847
IUPAC Name:
2,4-dimethylquinoline-3-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c1-7-9-5-3-4-6-10(9)13-8(2)11(7)12(14)15/h3-6H,1-2H3,(H,14,15)
InChI Key:
IXSPGXNTIAITRL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nc2c(c1C)cccc2
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties