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89647-61-0 | 1-Butanone, 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methyl-
CAS No: 89647-61-0 Catalog No: AG003VJV MDL No:
Product Description
Catalog Number:
AG003VJV
Chemical Name:
1-Butanone, 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methyl-
CAS Number:
89647-61-0
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methylbutan-1-one
InChI:
InChI=1S/C13H18O4/c1-5-7(2)12(15)11-9(14)6-10(17-4)8(3)13(11)16/h6-7,14,16H,5H2,1-4H3
InChI Key:
HDRPUFIQLCTRLW-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1c(O)cc(c(c1O)C)OC)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Norlignans, acylphloroglucinols, and a dimeric xanthone from Hypericum chinense. | Journal of natural products 20101129 |
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