5-oxo-5-phenylmethoxypentanoic acid


Chemical Name: 5-oxo-5-phenylmethoxypentanoic acid
CAS Number: 54322-10-0
Product Number: AG003DQX(AGN-PC-0NF3SD)
Synonyms:
MDL No: MFCD00447718
Molecular Formula: C12H14O4
Molecular Weight: 222.2372

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
222.24g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
222.089g/mol
Monoisotopic Mass:
222.089g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
231
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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