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78876-49-0 | 2H-1-Benzopyran-2-one, 7-[(3,3-dimethyloxiranyl)methoxy]-6-methoxy-
CAS No: 78876-49-0 Catalog No: AG00552Z MDL No:
Product Description
Catalog Number:
AG00552Z
Chemical Name:
2H-1-Benzopyran-2-one, 7-[(3,3-dimethyloxiranyl)methoxy]-6-methoxy-
CAS Number:
78876-49-0
Molecular Formula:
C15H16O5
Molecular Weight:
276.2845
IUPAC Name:
7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one
InChI:
InChI=1S/C15H16O5/c1-15(2)13(20-15)8-18-12-7-10-9(6-11(12)17-3)4-5-14(16)19-10/h4-7,13H,8H2,1-3H3
InChI Key:
FMXSCHCLGOEVNM-UHFFFAOYSA-N
SMILES:
COc1cc2ccc(=O)oc2cc1OCC1OC1(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.288g/mol
Monoisotopic Mass:
276.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Antifungal activity of some coumarins obtained from species of Pterocaulon (Asteraceae). | Journal of ethnopharmacology 20060811 |
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