5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid


Chemical Name: 5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CAS Number: 33282-10-9
Product Number: AG003M63(AGN-PC-04FWHU)
Synonyms:
MDL No: MFCD07377124
Molecular Formula: C13H13NO3
Molecular Weight: 231.2472

Identification/Properties


Computed Properties
Molecular Weight:
231.251g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
231.09g/mol
Monoisotopic Mass:
231.09g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
272
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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