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2107-69-9 | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-
CAS No: 2107-69-9 Catalog No: AG002KXP MDL No:MFCD00003790
Product Description
Catalog Number:
AG002KXP
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-
CAS Number:
2107-69-9
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00003790
IUPAC Name:
5,6-dimethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3
InChI Key:
IHMQOBPGHZFGLC-UHFFFAOYSA-N
SMILES:
COc1cc2C(=O)CCc2cc1OC
EC Number:
218-287-8
UNII:
F805RZI8GO
NSC Number:
401450
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Antiviral activity against the hepatitis C virus (HCV) of 1-indanone thiosemicarbazones and their inclusion complexes with hydroxypropyl-β-cyclodextrin. | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20121009 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| (2E)-2-Benzyl-idene-5,6-dimethoxy-indan-1-one. | Acta crystallographica. Section E, Structure reports online 20101001 |
| Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools. | Bioorganic & medicinal chemistry 20091001 |
| Methyl 5,6-dimeth-oxy-1H-indole-2-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20091001 |
| Photochemical synthesis of substituted indan-1-ones related to donepezil. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20080501 |
| Simple and regioselective bromination of 5,6-disubstituted-indan-1-ones with Br2 under acidic and basic conditions. | Molecules (Basel, Switzerland) 20070129 |
| Dopamine D(3) receptor antagonists. 1. Synthesis and structure-activity relationships of 5,6-dimethoxy-N-alkyl- and N-alkylaryl-substituted 2-aminoindans. | Journal of medicinal chemistry 20011220 |
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