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16859-59-9 | 3-hydroxyisobenzofuran-1(3H)-one
CAS No: 16859-59-9 Catalog No: AG001Y65 MDL No:MFCD00956142
Product Description
Catalog Number:
AG001Y65
Chemical Name:
3-hydroxyisobenzofuran-1(3H)-one
CAS Number:
16859-59-9
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
MDL Number:
MFCD00956142
IUPAC Name:
3-hydroxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9H
InChI Key:
JKNKNWJNCOJPLI-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| [Effect of different solvents on extraction of effective components from Ligusticum chuanxiong]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20120701 |
| Rational design of inhibitors of VirA-VirG two-component signal transduction. | Bioorganic & medicinal chemistry letters 20070615 |
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