5-Methoxybenzofuran-3(2H)-one - CAS 39581-55-0

Catalog:	BB024041
Product Name:	5-Methoxybenzofuran-3(2H)-one
CAS:	39581-55-0
Synonyms:	5-methoxy-3-benzofuranone; 5-methoxy-1-benzofuran-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methoxy-1-benzofuran-3-one
Description:	5-Methoxybenzofuran-3(2H)-one (CAS# 39581-55-0) is a useful research chemical.
Molecular Weight:	164.16
Molecular Formula:	C9H8O3
Canonical SMILES:	COC1=CC2=C(C=C1)OCC2=O
InChI:	InChI=1S/C9H8O3/c1-11-6-2-3-9-7(4-6)8(10)5-12-9/h2-4H,5H2,1H3
InChI Key:	VKHVAQOGXRYNNQ-UHFFFAOYSA-N
Boiling Point:	299.4 °C at 760 mmHg
Density:	1.262 g/cm³
Appearance:	Solid
LogP:	1.27030

Publication Number	Title	Priority Date
CN-112174974-A	Pyrano [3,2-b ] benzofuran-2-one framework compound and synthetic method and application thereof	20200121
EP-3224261-A1	Opioid receptor modulators	20141126
US-2017334923-A1	Opioid receptor modulators	20141126
WO-2016086158-A1	Opioid receptor modulators	20141126
WO-2015089842-A1	Novel tricyclic calcium sensing receptor antagonists for the treatment of osteoporosis	20131220

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Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.047344113
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4