5-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid


Chemical Name: 5-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid
CAS Number: 500892-07-9
Product Number: AG006W0B(AGN-PC-0JPGUF)
Synonyms:
MDL No: MFCD09801799
Molecular Formula: C14H18O3
Molecular Weight: 234.2909

Identification/Properties


Computed Properties
Molecular Weight:
234.295g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
234.126g/mol
Monoisotopic Mass:
234.126g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
273
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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