Home Carboxys 6-ethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

6-ethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

CAS No.:
1249477-24-4
Catalog Number:
AG01BJ36
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG01BJ36
Chemical Name:
6-ethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CAS Number:
1249477-24-4
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD16070478
IUPAC Name:
6-ethyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C12H15NO3/c1-2-7-3-4-10-8(5-7)6-9(12(15)16)11(14)13-10/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16)
InChI Key:
TXWUFMDSIXFBPI-UHFFFAOYSA-N
SMILES:
CCC1CCc2c(C1)cc(c(=O)[nH]2)C(=O)O
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties