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2650-15-9 | 2H-1-Benzopyran-2-one, 4-hydroxy-7,8-dimethoxy-
CAS No: 2650-15-9 Catalog No: AG002TH5 MDL No:
Product Description
Catalog Number:
AG002TH5
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-7,8-dimethoxy-
CAS Number:
2650-15-9
Molecular Formula:
C11H10O5
Molecular Weight:
222.1941
IUPAC Name:
4-hydroxy-7,8-dimethoxychromen-2-one
InChI:
InChI=1S/C11H10O5/c1-14-8-4-3-6-7(12)5-9(13)16-10(6)11(8)15-2/h3-5,12H,1-2H3
InChI Key:
UMUSKAHXFBQKKL-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1oc(=O)cc2O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.196g/mol
Monoisotopic Mass:
222.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and cytotoxic activity of non-naturally substituted 4-oxycoumarin derivatives. | Bioorganic & medicinal chemistry letters 20120915 |
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