2-(2-oxo-1,2-dihydroquinolin-3-yl)acetic Acid - CAS 53244-92-1
Catalog: |
BB076487 |
Product Name: |
2-(2-oxo-1,2-dihydroquinolin-3-yl)acetic Acid |
CAS: |
53244-92-1 |
Synonyms: |
1,2-Dihydro-2-oxo-3-quinolineacetic Acid;(2-Oxo-1,2-dihydro-quinolin-3-yl)-acetic Acid;2-(2-Hydroxyquinolin-3-yl)acetic Acid |
IUPAC Name: | 2-(2-oxo-1H-quinolin-3-yl)acetic acid |
Description: | 2-(2-oxo-1,2-dihydroquinolin-3-yl)acetic acid (cas# 53244-92-1) is used as a reactant in the preparation of peptide nucleic acid monomers with non-standard bases and triple-helix forming oligomers containing them for nucleic acid hybridization via thymidine targeting. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(C(=O)N2)CC(=O)O |
InChI: | InChI=1S/C11H9NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)12-11(8)15/h1-5H,6H2,(H,12,15)(H,13,14) |
InChI Key: | BWBWECCBFYVYEH-UHFFFAOYSA-N |
References: | Nielsen, P. E., et al. U.S. 54pp. (2003). |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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