6,7-Dihydrobenzofuran-4(5H)-one - CAS 16806-93-2

Catalog:	BB012449
Product Name:	6,7-Dihydrobenzofuran-4(5H)-one
CAS:	16806-93-2
Synonyms:	6,7-dihydro-5H-benzofuran-4-one; 6,7-dihydro-5H-1-benzofuran-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6,7-dihydro-5H-1-benzofuran-4-one
Description:	6,7-Dihydrobenzofuran-4(5H)-one (CAS# 16806-93-2) is a useful research chemical.
Molecular Weight:	136.15
Molecular Formula:	C8H8O2
Canonical SMILES:	C1CC2=C(C=CO2)C(=O)C1
InChI:	InChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChI Key:	DXWQOYPYNPSVRL-UHFFFAOYSA-N
Boiling Point:	115-118 °C (16 mmHg)
Density:	1.162 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00215511
LogP:	1.79860

Publication Number	Title	Priority Date
WO-2021122415-A1	Furoindazole derivatives	20191219
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WO-2021009566-A1	N-((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)-4,5,6,7-tetrahydrobenzofuran -2-sulfonamide derivatives and related compounds as nlpr3 modulators for the treatment of multiple sclerosis (ms)	20190717
CN-110128382-A	A kind of preparation method and application of Indian beech seed element	20190529
WO-2020067455-A1	Heterocyclic compound	20180928

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Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.052429494
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1