(2E)-3-(2-Quinoxalinyl)-2-propenoic Acid - CAS 754190-57-3

Catalog:	BB057877
Product Name:	(2E)-3-(2-Quinoxalinyl)-2-propenoic Acid
CAS:	754190-57-3
Synonyms:	(E)-3-(2-Quinoxalinyl)-2-propenoic Acid; (E)-3-(Quinoxalin-2-yl)acrylic Acid

Technical Data

Related CAS:	1593-24-4
IUPAC Name:	(E)-3-quinoxalin-2-ylprop-2-enoic acid
Description:	(2E)-3-(2-Quinoxalinyl)-2-propenoic Acid has been used in a sensitive and specific ELISA for determining a residue marker of three quinoxaline antibiotics in swine liver. It can also be useful in the preparation of imidazole derivatives and related compounds as PDE10A inhibitors.
Molecular Weight:	200.19
Molecular Formula:	C11H8N2O2
Canonical SMILES:	C1=CC=C2C(=C1)N=CC(=N2)C=CC(=O)O
InChI:	InChI=1S/C11H8N2O2/c14-11(15)6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-7H,(H,14,15)/b6-5+
InChI Key:	QJNZVVWLYVQBPQ-AATRIKPKSA-N
Solubility:	>30 ug/ml
References:	Cheng, L., et al. Anal. Bioanal. Chem., 405, 2653 (2013); Burdi, D. F., et al. Bioorg. Med. Chem. Lett., 25, 1864 (2015).

Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	200.058577502
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2