1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-hydroxy-5,6-dimethoxychromen-2-one

2.1.2 InChI

InChI=1S/C11H10O5/c1-14-10-6-3-4-9(13)16-8(6)5-7(12)11(10)15-2/h3-5,12H,1-2H3

2.1.3 InChI Key

DVBPETFXQYSHLJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C(=CC2=C1C=CC(=O)O2)O)OC

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 7-hydroxy-5,6-dimethoxycoumarin

2.2.2 Depositor-Supplied Synonyms

1. 43053-62-9

2. 7-hydroxy-5,6-dimethoxychromen-2-one

3. 7-hydroxy-5,6-dimethoxy-2h-chromen-2-one

4. 2h-1-benzopyran-2-one, 7-hydroxy-5,6-dimethoxy-

5. Umckalin, Hplc Grade

6. Umckalin, Analytical Standard

7. Schembl21623725

8. 7-hydroxy-5,6-dimethoxycoumarin

9. Dtxsid80195665

10. Hy-n8712

11. Mfcd16036238

12. Zinc14776047

13. Ds-017096

14. Cs-0148959

15. Ft-0645057

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀O₅
Molecular Weight	222.19 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	222.05282342 g/mol
Monoisotopic Mass	222.05282342 g/mol
Topological Polar Surface Area	65 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Umckalin