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17634-39-8 | 3H-Xanthen-3-one, 2,6,7-trihydroxy-
CAS No: 17634-39-8 Catalog No: AG0024LU MDL No:
Product Description
Catalog Number:
AG0024LU
Chemical Name:
3H-Xanthen-3-one, 2,6,7-trihydroxy-
CAS Number:
17634-39-8
Molecular Formula:
C13H8O5
Molecular Weight:
244.1996
IUPAC Name:
2,6,7-trihydroxyxanthen-3-one
InChI:
InChI=1S/C13H8O5/c14-8-2-6-1-7-3-9(15)11(17)5-13(7)18-12(6)4-10(8)16/h1-5,14-16H
InChI Key:
DFGINZPHLBGFIL-UHFFFAOYSA-N
SMILES:
Oc1cc2oc3cc(=O)c(cc3cc2cc1O)O
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.202g/mol
Monoisotopic Mass:
244.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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