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Home > Fluorides > 131427-13-9
131427-13-9 | 3H-Xanthen-3-one, 9-(3-fluorophenyl)-2,6,7-trihydroxy-
CAS No: 131427-13-9 Catalog No: AG000W5T MDL No:
Product Description
Catalog Number:
AG000W5T
Chemical Name:
3H-Xanthen-3-one, 9-(3-fluorophenyl)-2,6,7-trihydroxy-
CAS Number:
131427-13-9
Molecular Formula:
C19H11FO5
Molecular Weight:
338.2860
IUPAC Name:
9-(3-fluorophenyl)-2,6,7-trihydroxyxanthen-3-one
InChI:
InChI=1S/C19H11FO5/c20-10-3-1-2-9(4-10)19-11-5-13(21)15(23)7-17(11)25-18-8-16(24)14(22)6-12(18)19/h1-8,21-23H
InChI Key:
SLHUTJYDXJXRQV-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1c2cc(O)c(=O)cc2oc2c1cc(O)c(c2)O
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.059g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.29g/mol
Monoisotopic Mass:
338.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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