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209912-44-7 | Benzoic acid, 4-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester
CAS No: 209912-44-7 Catalog No: AG002KGS MDL No:MFCD08690288
Product Description
Catalog Number:
AG002KGS
Chemical Name:
Benzoic acid, 4-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester
CAS Number:
209912-44-7
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD08690288
IUPAC Name:
methyl 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
InChI:
InChI=1S/C11H10N2O3/c1-7-12-10(16-13-7)8-3-5-9(6-4-8)11(14)15-2/h3-6H,1-2H3
InChI Key:
PJYMNVKGDLTDJE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1onc(n1)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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