Home Carboxys 1-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

1-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

CAS No.:
1031655-17-0
Catalog Number:
AG01A2ZG
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG01A2ZG
Chemical Name:
1-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
CAS Number:
1031655-17-0
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD16113613
IUPAC Name:
1-ethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c1-2-13-6-10(14)12-8-5-7(11(15)16)3-4-9(8)13/h3-5H,2,6H2,1H3,(H,12,14)(H,15,16)
InChI Key:
CCICAFZRSLIFAL-UHFFFAOYSA-N
SMILES:
CCN1CC(=O)Nc2c1ccc(c2)C(=O)O
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties