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141642-11-7 | 9H-Xanthen-9-one, 2,3,5,6-tetrahydroxy-
CAS No: 141642-11-7 Catalog No: AG001GRY MDL No:
Product Description
Catalog Number:
AG001GRY
Chemical Name:
9H-Xanthen-9-one, 2,3,5,6-tetrahydroxy-
CAS Number:
141642-11-7
Molecular Formula:
C13H8O6
Molecular Weight:
260.1990
IUPAC Name:
2,3,5,6-tetrahydroxyxanthen-9-one
InChI:
InChI=1S/C13H8O6/c14-7-2-1-5-11(17)6-3-8(15)9(16)4-10(6)19-13(5)12(7)18/h1-4,14-16,18H
InChI Key:
ZIUFQHOTGSSKBS-UHFFFAOYSA-N
SMILES:
Oc1cc2oc3c(O)c(O)ccc3c(=O)c2cc1O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
260.201g/mol
Monoisotopic Mass:
260.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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