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Chemistry

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Also known as: 43053-62-9, 7-hydroxy-5,6-dimethoxychromen-2-one, 7-hydroxy-5,6-dimethoxy-2h-chromen-2-one, 2h-1-benzopyran-2-one, 7-hydroxy-5,6-dimethoxy-, Umckalin, hplc grade, Umckalin, analytical standard
Molecular Formula
C11H10O5
Molecular Weight
222.19  g/mol
InChI Key
DVBPETFXQYSHLJ-UHFFFAOYSA-N

Umckalin
7-hydroxy-5,6-dimethoxychromen-2-one is a natural product found in Allamanda blanchetii, Diatenopteryx sorbifolia, and other organisms with data available.
1 2D Structure

Umckalin

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 Weight 222.19 g/mol
Molecular Formula C11H10O5
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass222.05282342 g/mol
Monoisotopic Mass222.05282342 g/mol
Topological Polar Surface Area65 Ų
Heavy Atom Count16
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

REF. STANDARDS & IMPURITIES

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