5-Isoxazolecarboxaldehyde, 3-phenyl-


Chemical Name: 5-Isoxazolecarboxaldehyde, 3-phenyl-
CAS Number: 72418-40-7
Product Number: AG003JVQ(AGN-PC-007OK5)
Synonyms:
MDL No:
Molecular Formula: C10H7NO2
Molecular Weight: 173.1681

Identification/Properties


Properties
MP:
72.5-74 °C
BP:
361.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
173.171g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
173.048g/mol
Monoisotopic Mass:
173.048g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
178
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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