Home Carboxys 3-Acetylquinoline-4-carboxylic acid

3-Acetylquinoline-4-carboxylic acid

CAS No.:
1876-15-9
Catalog Number:
AG01DZ6J
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$246
- +
1g
1 week
United States
$937
- +
Product Description
Catalog Number:
AG01DZ6J
Chemical Name:
3-Acetylquinoline-4-carboxylic acid
CAS Number:
1876-15-9
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD03196270
IUPAC Name:
3-acetylquinoline-4-carboxylic acid
InChI:
InChI=1S/C12H9NO3/c1-7(14)9-6-13-10-5-3-2-4-8(10)11(9)12(15)16/h2-6H,1H3,(H,15,16)
InChI Key:
QAATYLLDIDZHOJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(cnc2c1cccc2)C(=O)C
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties