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116854-95-6 | Ethanone, 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
CAS No: 116854-95-6 Catalog No: AG000DBJ MDL No:
Product Description
Catalog Number:
AG000DBJ
Chemical Name:
Ethanone, 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
CAS Number:
116854-95-6
Molecular Formula:
C15H14O5
Molecular Weight:
274.2687
IUPAC Name:
2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
InChI:
InChI=1S/C15H14O5/c1-20-14-5-3-2-4-9(14)6-11(17)15-12(18)7-10(16)8-13(15)19/h2-5,7-8,16,18-19H,6H2,1H3
InChI Key:
JXHCBDZUPWMLDA-UHFFFAOYSA-N
SMILES:
COc1ccccc1CC(=O)c1c(O)cc(cc1O)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.272g/mol
Monoisotopic Mass:
274.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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