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23251-54-9 | 9H-Xanthen-9-one, 1,3-dihydroxy-4,7-dimethoxy-
CAS No: 23251-54-9 Catalog No: AG002MO3 MDL No:
Product Description
Catalog Number:
AG002MO3
Chemical Name:
9H-Xanthen-9-one, 1,3-dihydroxy-4,7-dimethoxy-
CAS Number:
23251-54-9
Molecular Formula:
C15H12O6
Molecular Weight:
288.2522
IUPAC Name:
1,3-dihydroxy-4,7-dimethoxyxanthen-9-one
InChI:
InChI=1S/C15H12O6/c1-19-7-3-4-11-8(5-7)13(18)12-9(16)6-10(17)14(20-2)15(12)21-11/h3-6,16-17H,1-2H3
InChI Key:
XTRWUCXXTBHIFN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)c1c(o2)c(OC)c(cc1O)O
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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