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201050-72-8 | Benzoic acid, 4-(5-methyl-1,3,4-oxadiazol-2-yl)-, methyl ester
CAS No: 201050-72-8 Catalog No: AG002D63 MDL No:MFCD00491621
Product Description
Catalog Number:
AG002D63
Chemical Name:
Benzoic acid, 4-(5-methyl-1,3,4-oxadiazol-2-yl)-, methyl ester
CAS Number:
201050-72-8
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD00491621
IUPAC Name:
methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
InChI:
InChI=1S/C11H10N2O3/c1-7-12-13-10(16-7)8-3-5-9(6-4-8)11(14)15-2/h3-6H,1-2H3
InChI Key:
VDLCZLXZHGXCKE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1nnc(o1)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:
1.7
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