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114371-79-8 | 9H-Xanthen-9-one, 2-(acetyloxy)-1,6,8-trimethoxy-
CAS No: 114371-79-8 Catalog No: AG000B77 MDL No:
Product Description
Catalog Number:
AG000B77
Chemical Name:
9H-Xanthen-9-one, 2-(acetyloxy)-1,6,8-trimethoxy-
CAS Number:
114371-79-8
Molecular Formula:
C18H16O7
Molecular Weight:
344.3154
IUPAC Name:
(1,6,8-trimethoxy-9-oxoxanthen-2-yl) acetate
InChI:
InChI=1S/C18H16O7/c1-9(19)24-12-6-5-11-16(18(12)23-4)17(20)15-13(22-3)7-10(21-2)8-14(15)25-11/h5-8H,1-4H3
InChI Key:
HAKRKFQWTHFGHQ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)oc1c(c2=O)c(OC)c(cc1)OC(=O)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.319g/mol
Monoisotopic Mass:
344.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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