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73713-38-9 | 1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-
CAS No: 73713-38-9 Catalog No: AG005BVK MDL No:
Product Description
Catalog Number:
AG005BVK
Chemical Name:
1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-
CAS Number:
73713-38-9
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
IUPAC Name:
3-hydroxy-7-methoxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C9H8O4/c1-12-6-4-2-3-5-7(6)9(11)13-8(5)10/h2-4,8,10H,1H3
InChI Key:
URTPDSARMPGSPA-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)OC2O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Rational design of inhibitors of VirA-VirG two-component signal transduction. | Bioorganic & medicinal chemistry letters 20070615 |
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