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89140-95-4 | 12H-Benzo[b]xanthen-12-one, 6,11-dihydroxy-3,10-dimethoxy-
CAS No: 89140-95-4 Catalog No: AG003WXB MDL No:
Product Description
Catalog Number:
AG003WXB
Chemical Name:
12H-Benzo[b]xanthen-12-one, 6,11-dihydroxy-3,10-dimethoxy-
CAS Number:
89140-95-4
Molecular Formula:
C19H14O6
Molecular Weight:
338.3109
IUPAC Name:
6,11-dihydroxy-3,10-dimethoxybenzo[b]xanthen-12-one
InChI:
InChI=1S/C19H14O6/c1-23-9-6-7-10-13(8-9)25-19-15(16(10)20)18(22)14-11(17(19)21)4-3-5-12(14)24-2/h3-8,21-22H,1-2H3
InChI Key:
MSZQWBORSLDGSQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc1c(c2=O)c(O)c2c(c1O)cccc2OC
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.315g/mol
Monoisotopic Mass:
338.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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