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137542-56-4 | 1H-Inden-1-one, 2,3-dihydro-5-hydroxy-6-methoxy-2-methyl-
CAS No: 137542-56-4 Catalog No: AG0013J3 MDL No:
Product Description
Catalog Number:
AG0013J3
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5-hydroxy-6-methoxy-2-methyl-
CAS Number:
137542-56-4
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H12O3/c1-6-3-7-4-9(12)10(14-2)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
InChI Key:
HIQOGHGGZYIFQJ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1O)CC(C2=O)C
Properties
Complexity:
239
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:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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