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69716-05-8 | 2-(6-Methoxybenzofuran-3-yl)acetic acid
CAS No: 69716-05-8 Catalog No: AG005ISB MDL No:MFCD02677734
Product Description
Catalog Number:
AG005ISB
Chemical Name:
2-(6-Methoxybenzofuran-3-yl)acetic acid
CAS Number:
69716-05-8
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD02677734
IUPAC Name:
2-(6-methoxy-1-benzofuran-3-yl)acetic acid
InChI:
InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)
InChI Key:
QCXJFLREQGIACT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)occ2CC(=O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. | Nature chemical biology 20100901 |
| Identifying regulators for EAG1 channels with a novel electrophysiology and tryptophan fluorescence based screen. | PloS one 20100101 |
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