Benzoic acid, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-


Chemical Name: Benzoic acid, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS Number: 95124-68-8
Product Number: AG003K5E(AGN-PC-0LWSEF)
Synonyms:
MDL No: MFCD06797475
Molecular Formula: C10H8N2O3
Molecular Weight: 204.1821

Identification/Properties


Properties
MP:
262 °C
BP:
405.1±47.0°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
204.185g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
204.053g/mol
Monoisotopic Mass:
204.053g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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