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Home > Other Building Blocks > 114567-43-0
114567-43-0 | 9H-Xanthen-9-one, 1,3-bis(acetyloxy)-5,8-dimethoxy-
CAS No: 114567-43-0 Catalog No: AG000EOQ MDL No:
Product Description
Catalog Number:
AG000EOQ
Chemical Name:
9H-Xanthen-9-one, 1,3-bis(acetyloxy)-5,8-dimethoxy-
CAS Number:
114567-43-0
Molecular Formula:
C19H16O8
Molecular Weight:
372.3255
IUPAC Name:
(1-acetyloxy-5,8-dimethoxy-9-oxoxanthen-3-yl) acetate
InChI:
InChI=1S/C19H16O8/c1-9(20)25-11-7-14(26-10(2)21)16-15(8-11)27-19-13(24-4)6-5-12(23-3)17(19)18(16)22/h5-8H,1-4H3
InChI Key:
LCIYHIZCYDGSNI-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1oc1cc(OC(=O)C)cc(c1c2=O)OC(=O)C)OC
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.085g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.329g/mol
Monoisotopic Mass:
372.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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