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18110-66-2 | 1H-2-Benzopyran-1-one, 6,8-dimethoxy-3-methyl-
CAS No: 18110-66-2 Catalog No: AG0022OA MDL No:
Product Description
Catalog Number:
AG0022OA
Chemical Name:
1H-2-Benzopyran-1-one, 6,8-dimethoxy-3-methyl-
CAS Number:
18110-66-2
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
IUPAC Name:
6,8-dimethoxy-3-methylisochromen-1-one
InChI:
InChI=1S/C12H12O4/c1-7-4-8-5-9(14-2)6-10(15-3)11(8)12(13)16-7/h4-6H,1-3H3
InChI Key:
JQAXANOEMJLZMG-UHFFFAOYSA-N
SMILES:
COc1cc2cc(C)oc(=O)c2c(c1)OC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Bioactive isocoumarins from a terrestrial Streptomyces sp. ANK302. | Natural product communications 20110101 |
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