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26452-98-2 | 1H-Inden-1-ol, 2,3-dihydro-, 1-acetate
CAS No: 26452-98-2 Catalog No: AG002TA4 MDL No:MFCD00053467
Product Description
Catalog Number:
AG002TA4
Chemical Name:
1H-Inden-1-ol, 2,3-dihydro-, 1-acetate
CAS Number:
26452-98-2
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD00053467
IUPAC Name:
2,3-dihydro-1H-inden-1-yl acetate
InChI:
InChI=1S/C11H12O2/c1-8(12)13-11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3
InChI Key:
BZZWYQKRGRYJAX-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CCc2c1cccc2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Indanylacetic acids as PPAR-delta activator insulin sensitizers. | Bioorganic & medicinal chemistry letters 20070801 |
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