Methyl Quinoxaline-5-carboxylate - CAS 6924-71-6

Catalog:	BB033746
Product Name:	Methyl Quinoxaline-5-carboxylate
CAS:	6924-71-6
Synonyms:	5-quinoxalinecarboxylic acid methyl ester; methyl quinoxaline-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl quinoxaline-5-carboxylate
Description:	Methyl Quinoxaline-5-carboxylate (CAS# 6924-71-6) is a useful research chemical.
Molecular Weight:	188.18
Molecular Formula:	C10H8N2O2
Canonical SMILES:	COC(=O)C1=C2C(=CC=C1)N=CC=N2
InChI:	InChI=1S/C10H8N2O2/c1-14-10(13)7-3-2-4-8-9(7)12-6-5-11-8/h2-6H,1H3
InChI Key:	LCDDKBKKXKEGPK-UHFFFAOYSA-N
MDL:	MFCD19703859
LogP:	1.41640

Publication Number	Title	Priority Date
CN-110818706-A	Four-condensed ring quinoxaline derivative and preparation method thereof	20180809
CN-110818706-B	Four-condensed ring quinoxaline derivative and preparation method thereof	20180809
CN-111108105-A	Heterocyclic compounds as PAD inhibitors	20170922
CN-110678450-A	Isoxazole derivatives as nuclear receptor agonists and uses thereof	20170412
EP-3183250-A1	Process for preparing crystalline organic semiconductor material	20140818

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.058577502
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1