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89783-74-4 | 2H-Pyrano[2,3,4-kl]xanthen-2-one,9,10-dihydroxy-5-methoxy-
CAS No: 89783-74-4 Catalog No: AG003ZWL MDL No:
Product Description
Catalog Number:
AG003ZWL
Chemical Name:
2H-Pyrano[2,3,4-kl]xanthen-2-one,9,10-dihydroxy-5-methoxy-
CAS Number:
89783-74-4
Molecular Formula:
C16H10O6
Molecular Weight:
298.2470
IUPAC Name:
4,15-dihydroxy-11-methoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,6,9(17),10,12,15-heptaen-5-one
InChI:
InChI=1S/C16H10O6/c1-20-7-2-13-16-9(5-15(19)22-14(16)3-7)8-4-10(17)11(18)6-12(8)21-13/h2-6,17,19H,1H3
InChI Key:
FAVAWTOATHDWMK-UHFFFAOYSA-N
SMILES:
COc1cc2Oc3cc(O)c(cc3c3c2c(c1)oc(=O)c3)O
EC Number:
289-524-0
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.25g/mol
Monoisotopic Mass:
298.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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