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114567-42-9 | 9H-Xanthen-9-one, 1,3-dihydroxy-5,8-dimethoxy-
CAS No: 114567-42-9 Catalog No: AG000EOR MDL No:
Product Description
Catalog Number:
AG000EOR
Chemical Name:
9H-Xanthen-9-one, 1,3-dihydroxy-5,8-dimethoxy-
CAS Number:
114567-42-9
Molecular Formula:
C15H12O6
Molecular Weight:
288.2522
IUPAC Name:
1,3-dihydroxy-5,8-dimethoxyxanthen-9-one
InChI:
InChI=1S/C15H12O6/c1-19-9-3-4-10(20-2)15-13(9)14(18)12-8(17)5-7(16)6-11(12)21-15/h3-6,16-17H,1-2H3
InChI Key:
NZEMKDUWMYIOOL-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1oc1cc(O)cc(c1c2=O)O)OC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.255g/mol
Monoisotopic Mass:
288.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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