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1166756-80-4 | Benzoic acid, 3-(5-methyl-1,2,4-oxadiazol-3-yl)-, ethyl ester
CAS No: 1166756-80-4 Catalog No: AG000CYW MDL No:MFCD12198876
Product Description
Catalog Number:
AG000CYW
Chemical Name:
Benzoic acid, 3-(5-methyl-1,2,4-oxadiazol-3-yl)-, ethyl ester
CAS Number:
1166756-80-4
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD12198876
IUPAC Name:
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
InChI:
InChI=1S/C12H12N2O3/c1-3-16-12(15)10-6-4-5-9(7-10)11-13-8(2)17-14-11/h4-7H,3H2,1-2H3
InChI Key:
OKGFHGDXEFYTRK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)c1noc(n1)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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