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26246-41-3 | 1H-2-Benzopyran-1-one, 6,8-dihydroxy-7-methoxy-3-methyl-
CAS No: 26246-41-3 Catalog No: AG002SG7 MDL No:
Product Description
Catalog Number:
AG002SG7
Chemical Name:
1H-2-Benzopyran-1-one, 6,8-dihydroxy-7-methoxy-3-methyl-
CAS Number:
26246-41-3
Molecular Formula:
C11H10O5
Molecular Weight:
222.1941
IUPAC Name:
6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one
InChI:
InChI=1S/C11H10O5/c1-5-3-6-4-7(12)10(15-2)9(13)8(6)11(14)16-5/h3-4,12-13H,1-2H3
InChI Key:
LREZRXWUEZCZRU-UHFFFAOYSA-N
SMILES:
COc1c(O)cc2c(c1O)c(=O)oc(c2)C
NSC Number:
294978
Properties
Complexity:
324
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:
2
Isotope Atom Count:
0
Molecular Weight:
222.196g/mol
Monoisotopic Mass:
222.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Bioactive isocoumarins from a terrestrial Streptomyces sp. ANK302. | Natural product communications 20110101 |
| Reticulone, a novel free radical scavenger produced by Aspergillus sp. | Journal of microbiology and biotechnology 20091201 |
| Topoisomerase I inactivation by reticulol and its in vivo cytotoxicity against B16F10 melanoma. | Chemotherapy 20030901 |
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