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1634-34-0 | Ethanone, 1-(2,6-dihydroxy-4-methylphenyl)-
CAS No: 1634-34-0 Catalog No: AG001U37 MDL No:MFCD06656138
Product Description
Catalog Number:
AG001U37
Chemical Name:
Ethanone, 1-(2,6-dihydroxy-4-methylphenyl)-
CAS Number:
1634-34-0
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD06656138
IUPAC Name:
1-(2,6-dihydroxy-4-methylphenyl)ethanone
InChI:
InChI=1S/C9H10O3/c1-5-3-7(11)9(6(2)10)8(12)4-5/h3-4,11-12H,1-2H3
InChI Key:
CUYUORWXJSURNV-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(c1)O)C(=O)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 6-Phenylpyrones and 5-methylchromones from Kenya aloe. | Fitoterapia 20040701 |
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