3-[6-(ethoxycarbonyl)-4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl]propanoic acid - CAS 726153-69-1
Catalog: |
BB034660 |
Product Name: |
3-[6-(ethoxycarbonyl)-4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl]propanoic acid |
CAS: |
726153-69-1 |
Synonyms: |
3-(6-ethoxycarbonyl-4-ethyl-3-oxo-2-quinoxalinyl)propanoic acid; 3-(6-ethoxycarbonyl-4-ethyl-3-oxoquinoxalin-2-yl)propanoic acid |
IUPAC Name: | 3-(6-ethoxycarbonyl-4-ethyl-3-oxoquinoxalin-2-yl)propanoic acid |
Description: | 3-[6-(ethoxycarbonyl)-4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl]propanoic acid (CAS# 726153-69-1 ) is a useful research chemical. |
Molecular Weight: | 318.329 |
Molecular Formula: | C16H18N2O5 |
Canonical SMILES: | CCN1C2=C(C=CC(=C2)C(=O)OCC)N=C(C1=O)CCC(=O)O |
InChI: | InChI=1S/C16H18N2O5/c1-3-18-13-9-10(16(22)23-4-2)5-6-11(13)17-12(15(18)21)7-8-14(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20) |
InChI Key: | RMSGKZWAJGWCSV-UHFFFAOYSA-N |
Complexity: | 517 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.12157168 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.12157168 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 96.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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