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


Chemical Name: Benzoic acid, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-, methyl ester
CAS Number: 196301-94-7
Product Number: AG00BBD8(AGN-PC-0NC44A)
Synonyms:
MDL No: MFCD12198877
Molecular Formula: C11H10N2O3
Molecular Weight: 218.2087

Identification/Properties


Computed Properties
Molecular Weight:
218.212g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
218.069g/mol
Monoisotopic Mass:
218.069g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
252
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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