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139256-04-5 | Ethanone, 1-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-
CAS No: 139256-04-5 Catalog No: AG001AKZ MDL No:
Product Description
Catalog Number:
AG001AKZ
Chemical Name:
Ethanone, 1-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-
CAS Number:
139256-04-5
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
1-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)ethanone
InChI:
InChI=1S/C15H14O4/c1-9-6-12(17)8-14(19)15(9)13(18)7-10-2-4-11(16)5-3-10/h2-6,8,16-17,19H,7H2,1H3
InChI Key:
YJRCBFUADRJYIL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CC(=O)c1c(C)cc(cc1O)O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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