5-Methoxy-2,2-dimethylchroman-4-one - CAS 98910-61-3

Catalog:	BB042229
Product Name:	5-Methoxy-2,2-dimethylchroman-4-one
CAS:	98910-61-3
Synonyms:	5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 5-methoxy-2,2-dimethyl-3H-chromen-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methoxy-2,2-dimethyl-3H-chromen-4-one
Description:	5-Methoxy-2,2-dimethylchroman-4-one (CAS# 98910-61-3 ) is a useful research chemical.
Molecular Weight:	206.24
Molecular Formula:	C12H14O3
Canonical SMILES:	CC1(CC(=O)C2=C(O1)C=CC=C2OC)C
InChI:	InChI=1S/C12H14O3/c1-12(2)7-8(13)11-9(14-3)5-4-6-10(11)15-12/h4-6H,7H2,1-3H3
InChI Key:	RWFBDXQSHYXJRA-UHFFFAOYSA-N
LogP:	2.43900

Publication Number	Title	Priority Date
EP-3585784-A1	Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use	20170224
TW-201831471-A	Modulator of cystic fibrosis transmembrane conductance regulating protein and use method thereof	20170224
US-10428017-B2	Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use	20170224
US-2018244640-A1	Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use	20170224
WO-2018154493-A1	Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use	20170224

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Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.094294304
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.094294304
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2