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

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

CAS No.:
88347-36-8
Catalog Number:
AG0046F1
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG0046F1
Chemical Name:
1-Methyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CAS Number:
88347-36-8
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD12030939
IUPAC Name:
1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
InChI:
InChI=1S/C11H13NO3/c1-12-9-5-3-2-4-7(9)6-8(10(12)13)11(14)15/h6H,2-5H2,1H3,(H,14,15)
InChI Key:
WYPVZWSIJLPQGV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2CCCCc2n(c1=O)C
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties