6-Hydroxy-5-methoxy-1-indanone - CAS 90843-62-2
Catalog:
BB039969
Product Name:
6-Hydroxy-5-methoxy-1-indanone
CAS:
90843-62-2
Synonyms:
6-hydroxy-5-methoxy-2,3-dihydroinden-1-one; 6-hydroxy-5-methoxy-2,3-dihydroinden-1-one
Application:
6-Hydroxy-5-methoxy-1-indanone (cas# 90843-62-2) is a compound useful in organic synthesis.
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BB039969
100 mg
$258
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IUPAC Name: 6-hydroxy-5-methoxy-2,3-dihydroinden-1-one
Description: An impurity of Donepezil, a medication for the treatment of Alzheimer's disease.
Molecular Weight: 178.18
Molecular Formula: C10H10O3
Canonical SMILES: COC1=C(C=C2C(=C1)CCC2=O)O
InChI: InChI=1S/C10H10O3/c1-13-10-4-6-2-3-8(11)7(6)5-9(10)12/h4-5,12H,2-3H2,1H3
InChI Key: FEUMSMHGLKFCLZ-UHFFFAOYSA-N
Boiling Point: 378.7 °C at 760 mmHg
Density: 1.296 g/cm3
Appearance: Light brown solid
LogP: 1.52970
Publication Number Title Priority Date
EP-3044223-B1 2,3-dihydro-1h-inden-1-one derivatives as retinoic acid-related orphan receptor gamma (ror gamma) antagonists for treating multiple sclerosis 20130910
US-10172866-B2 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis 20130910
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis 20130910
US-2015072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis 20130910
US-2016213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis 20130910
PMID Publication Date Title Journal
22633691 20120701 Design, synthesis, and evaluation of indanone derivatives as acetylcholinesterase inhibitors and metal-chelating agents Bioorganic & medicinal chemistry letters
Complexity: 214
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 178.062994177
Formal Charge: 0
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 178.062994177
Rotatable Bond Count: 1
Topological Polar Surface Area: 46.5
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.3
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