3-Isoxazolecarboxylic acid, 5-propyl-


Chemical Name: 3-Isoxazolecarboxylic acid, 5-propyl-
CAS Number: 89776-75-0
Product Number: AG0040I9(AGN-PC-0K0YPR)
Synonyms:
MDL No:
Molecular Formula: C7H9NO3
Molecular Weight: 155.1513

Identification/Properties


Properties
BP:
321.5 °C at 760 mmHg
Computed Properties
Molecular Weight:
155.153g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
155.058g/mol
Monoisotopic Mass:
155.058g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
149
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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