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138261-10-6 | 1H-Inden-1-one, 2,3-dihydro-4,5-dimethoxy-2-methyl-
CAS No: 138261-10-6 Catalog No: AG0018FX MDL No:
Product Description
Catalog Number:
AG0018FX
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-4,5-dimethoxy-2-methyl-
CAS Number:
138261-10-6
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
4,5-dimethoxy-2-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C12H14O3/c1-7-6-9-8(11(7)13)4-5-10(14-2)12(9)15-3/h4-5,7H,6H2,1-3H3
InChI Key:
RRGLXSHXUVBPPY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC)CC(C2=O)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase. | Journal of medicinal chemistry 19920207 |
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