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Home > Other Heterocycles > 87569-95-7
87569-95-7 | 3'-ethoxy-6'-hydroxy-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one
CAS No: 87569-95-7 Catalog No: AG004R19 MDL No:
Product Description
Catalog Number:
AG004R19
Chemical Name:
3'-ethoxy-6'-hydroxy-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one
CAS Number:
87569-95-7
Molecular Formula:
C22H16O5
Molecular Weight:
360.3594
IUPAC Name:
3'-ethoxy-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI:
InChI=1S/C22H16O5/c1-2-25-14-8-10-18-20(12-14)26-19-11-13(23)7-9-17(19)22(18)16-6-4-3-5-15(16)21(24)27-22/h3-12,23H,2H2,1H3
InChI Key:
AXJRSJNDZBXJAB-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.365g/mol
Monoisotopic Mass:
360.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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