3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-


Chemical Name: 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
CAS Number: 23513-14-6
Product Number: AG002NIA(AGN-PC-0O83W9)
Synonyms:
MDL No: MFCD00210507
Molecular Formula: C17H26O4
Molecular Weight: 294.3859

Identification/Properties


Properties
BP:
453°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Solubility:
methanol: soluble1mg/mL, clear, colorless
Computed Properties
Molecular Weight:
294.391g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
10
Exact Mass:
294.183g/mol
Monoisotopic Mass:
294.183g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
293
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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