3,6-dimethyl-1-benzofuran-2-carbaldehyde - CAS 16820-39-6

Catalog:	BB012457
Product Name:	3,6-dimethyl-1-benzofuran-2-carbaldehyde
CAS:	16820-39-6
Synonyms:	3,6-dimethyl-2-benzofurancarboxaldehyde; 3,6-dimethyl-1-benzofuran-2-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3,6-dimethyl-1-benzofuran-2-carbaldehyde
Description:	3,6-dimethyl-1-benzofuran-2-carbaldehyde (CAS# 16820-39-6) is a useful research chemical.
Molecular Weight:	174.199
Molecular Formula:	C11H10O2
Canonical SMILES:	CC1=CC2=C(C=C1)C(=C(O2)C=O)C
InChI:	InChI=1S/C11H10O2/c1-7-3-4-9-8(2)11(6-12)13-10(9)5-7/h3-6H,1-2H3
InChI Key:	RCAUZJGALLIUPL-UHFFFAOYSA-N
MDL:	MFCD06496261
LogP:	2.86210

Publication Number	Title	Priority Date
AU-2016336437-A1	Compounds, compositions, and methods for modulating CFTR	20151006
AU-2016336437-B2	Compounds, compositions, and methods for modulating CFTR	20151006
US-10550106-B2	Compounds, compositions, and methods for modulating CFTR	20151006
US-2018291006-A1	Compounds, compositions, and methods for modulating cftr	20151006
AU-2020233776-A1	Compounds, compositions, and methods for modulating CFTR	20151006

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Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.068079557
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8