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138590-90-6 | 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(4-methoxyphenoxy)-
CAS No: 138590-90-6 Catalog No: AG0018TI MDL No:
Product Description
Catalog Number:
AG0018TI
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(4-methoxyphenoxy)-
CAS Number:
138590-90-6
Molecular Formula:
C20H16O8
Molecular Weight:
384.3362
IUPAC Name:
[5-acetyloxy-2-(4-methoxyphenoxy)-4-oxochromen-7-yl] acetate
InChI:
InChI=1S/C20H16O8/c1-11(21)25-15-8-17(26-12(2)22)20-16(23)10-19(28-18(20)9-15)27-14-6-4-13(24-3)5-7-14/h4-10H,1-3H3
InChI Key:
GIFPPYCNDYITID-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1cc(=O)c2c(o1)cc(cc2OC(=O)C)OC(=O)C
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.085g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.34g/mol
Monoisotopic Mass:
384.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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