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69722-46-9 | Ethanone, 1-(4-hydroxy-5-benzofuranyl)-
CAS No: 69722-46-9 Catalog No: AG005IS0 MDL No:MFCD10699363
Product Description
Catalog Number:
AG005IS0
Chemical Name:
Ethanone, 1-(4-hydroxy-5-benzofuranyl)-
CAS Number:
69722-46-9
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD10699363
IUPAC Name:
1-(4-hydroxy-1-benzofuran-5-yl)ethanone
InChI:
InChI=1S/C10H8O3/c1-6(11)7-2-3-9-8(10(7)12)4-5-13-9/h2-5,12H,1H3
InChI Key:
NMYHGDAZXIKAFM-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1O)cco2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis of benzofuran scaffold-based potential PTP-1B inhibitors. | Bioorganic & medicinal chemistry 20070115 |
| Synthesis of functionalized acetophenones as protein tyrosine phosphatase 1B inhibitors. | Bioorganic & medicinal chemistry letters 20050715 |
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