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5-Methoxy-3a,4-dihydronaphtho[2,3-b]furan-2(3H)-one

5-Methoxy-3a,4-dihydronaphtho[2,3-b]furan-2(3H)-one - CAS 101691-57-0

Catalog:	BB000606
Product Name:	5-Methoxy-3a,4-dihydronaphtho[2,3-b]furan-2(3H)-one
CAS:	101691-57-0
Synonyms:	5-methoxy-3a,4-dihydro-3H-benzo[f]benzofuran-2-one; 5-methoxy-3a,4-dihydro-3H-benzo[f][1]benzofuran-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methoxy-3a,4-dihydro-3H-benzo[f][1]benzofuran-2-one
Description:	5-Methoxy-3a,4-dihydronaphtho[2,3-b]furan-2(3H)-one (CAS# 101691-57-0 ) is a useful research chemical.
Molecular Weight:	216.23
Molecular Formula:	C13H12O3
Canonical SMILES:	COC1=CC=CC2=C1CC3CC(=O)OC3=C2
InChI:	InChI=1S/C13H12O3/c1-15-11-4-2-3-8-6-12-9(5-10(8)11)7-13(14)16-12/h2-4,6,9H,5,7H2,1H3
InChI Key:	SCCPTQJNADCRRE-UHFFFAOYSA-N
LogP:	2.15530

Publication Number	Title	Priority Date
US-2016152548-A1	Novel intermediate for synthesizing treprostinil diethanolamine and method for preparing the same	20141201
US-9505704-B2	Intermediate for synthesizing treprostinil diethanolamine and method for preparing the same	20141201
WO-2014094511-A1	Intermediates for synthesizing treprostinil and preparation method thereof as well as the preparation method of treprostinil thereby	20121220
EP-0175450-A1	An interphenylene-carbacyclin compound	19840718
EP-0175450-B1	An interphenylene-carbacyclin compound	19840718

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	334
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.078644241
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.078644241
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9