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1166756-79-1 | Benzoic acid, 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-, ethyl ester
CAS No: 1166756-79-1 Catalog No: AG000CYX MDL No:MFCD12198874
Product Description
Catalog Number:
AG000CYX
Chemical Name:
Benzoic acid, 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-, ethyl ester
CAS Number:
1166756-79-1
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD12198874
IUPAC Name:
ethyl 4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate
InChI:
InChI=1S/C13H14N2O3/c1-3-11-14-12(15-18-11)9-5-7-10(8-6-9)13(16)17-4-2/h5-8H,3-4H2,1-2H3
InChI Key:
RXBBQPDZTKGQBD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1noc(n1)CC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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