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137809-97-3 | 2(5H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)-
CAS No: 137809-97-3 Catalog No: AG0013VE MDL No:
Product Description
Catalog Number:
AG0013VE
Chemical Name:
2(5H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)-
CAS Number:
137809-97-3
Molecular Formula:
C20H16O6
Molecular Weight:
352.3374
IUPAC Name:
3,4-bis(1,3-benzodioxol-5-ylmethyl)-2H-furan-5-one
InChI:
InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8H,5-6,9-11H2
InChI Key:
DQUXXEYAJDQQTP-UHFFFAOYSA-N
SMILES:
O=C1OCC(=C1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.342g/mol
Monoisotopic Mass:
352.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Secondary metabolites and cytotoxic activities from the stem bark of Zanthoxylum nitidum. | Chemistry & biodiversity 20090601 |
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