Methyl 2-Dibenzofurancarboxylate - CAS 58841-72-8

Catalog:	BB030176
Product Name:	Methyl 2-Dibenzofurancarboxylate
CAS:	58841-72-8
Synonyms:	2-dibenzofurancarboxylic acid methyl ester; methyl dibenzofuran-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl dibenzofuran-2-carboxylate
Description:	Methyl 2-Dibenzofurancarboxylate (CAS# 58841-72-8 ) is a useful research chemical.
Molecular Weight:	226.23
Molecular Formula:	C14H10O3
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32
InChI:	InChI=1S/C14H10O3/c1-16-14(15)9-6-7-13-11(8-9)10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChI Key:	QSQTUIVYNKZDHU-UHFFFAOYSA-N
LogP:	3.37260

Publication Number	Title	Priority Date
CN-107383024-A	The class compound of fused tricyclic containing imidazoles and its application	20160912
CN-107383024-B	The class compound of fused tricyclic containing imidazoles and its application	20160912
WO-2018045966-A1	Imidazole-containing fused tricyclic compounds and applications thereof	20160912
GB-2282376-A	3-aryl-cephalosporin compounds	19930929
US-5455239-A	3-aryl of heteroaryl-7-heteroaralkylamido cephalosporin compounds, compositions and methods of use	19930805

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Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.062994177
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4