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116368-97-9 | 9H-Xanthen-9-one, 1,3,8-trihydroxy-2,6-dimethoxy-
CAS No: 116368-97-9 Catalog No: AG000CAQ MDL No:
Product Description
Catalog Number:
AG000CAQ
Chemical Name:
9H-Xanthen-9-one, 1,3,8-trihydroxy-2,6-dimethoxy-
CAS Number:
116368-97-9
Molecular Formula:
C15H12O7
Molecular Weight:
304.2516
IUPAC Name:
1,3,8-trihydroxy-2,6-dimethoxyxanthen-9-one
InChI:
InChI=1S/C15H12O7/c1-20-6-3-7(16)11-9(4-6)22-10-5-8(17)15(21-2)14(19)12(10)13(11)18/h3-5,16-17,19H,1-2H3
InChI Key:
WWLABYIROBORPO-UHFFFAOYSA-N
SMILES:
COc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(c(c1)O)OC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.254g/mol
Monoisotopic Mass:
304.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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