5-Methylbenzofuran - CAS 18441-43-5

Catalog:	BB014137
Product Name:	5-Methylbenzofuran
CAS:	18441-43-5
Synonyms:	5-methylbenzofuran; 5-methyl-1-benzofuran

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methyl-1-benzofuran
Description:	5-Methylbenzofuran (CAS# 18441-43-5) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C9H8O
Canonical SMILES:	CC1=CC2=C(C=C1)OC=C2
InChI:	InChI=1S/C9H8O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3
InChI Key:	KCZQNAOFWQGLCN-UHFFFAOYSA-N
Boiling Point:	224.5 °C at 760 mmHg
Density:	1.052 g/cm³
LogP:	2.74120

Publication Number	Title	Priority Date
CN-112645909-A	Method for synthesizing alpha-benzyl benzofuran compound	20210125
CN-112675919-A	Application of N-heterocyclic carbene-based mixed nickel (II) complex in synthesis of alpha-benzylbenzofuran compounds	20210125
CN-112851608-A	Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound	20210118
JP-2021113189-A	Organometallic compounds and organic light emitting devices containing them and electronic devices including organic light emitting devices	20200120
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204

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Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.057514874
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.057514874
Rotatable Bond Count:	0
Topological Polar Surface Area:	13.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7