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

Technical Data

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:	66.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8