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Home > Other Building Blocks > 824952-06-9
824952-06-9 | 1H-2-Benzopyran-1-one, 5-hydroxy-8-methoxy-3-(1E)-1-pentenyl-
CAS No: 824952-06-9 Catalog No: AG00504M MDL No:
Product Description
Catalog Number:
AG00504M
Chemical Name:
1H-2-Benzopyran-1-one, 5-hydroxy-8-methoxy-3-(1E)-1-pentenyl-
CAS Number:
824952-06-9
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
5-hydroxy-8-methoxy-3-pent-1-enylisochromen-1-one
InChI:
InChI=1S/C15H16O4/c1-3-4-5-6-10-9-11-12(16)7-8-13(18-2)14(11)15(17)19-10/h5-9,16H,3-4H2,1-2H3
InChI Key:
TWVHUVBOFFNFOX-UHFFFAOYSA-N
SMILES:
CCC/C=C/c1oc(=O)c2c(c1)c(O)ccc2OC
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Three isocoumarins and a benzofuran from the cultured lichen mycobionts of Pyrenula sp. | Phytochemistry 20041201 |
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