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1166756-88-2 | Benzoic acid, 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-, ethyl ester
CAS No: 1166756-88-2 Catalog No: AG000CYS MDL No:MFCD12198881
Product Description
Catalog Number:
AG000CYS
Chemical Name:
Benzoic acid, 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-, ethyl ester
CAS Number:
1166756-88-2
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
MDL Number:
MFCD12198881
IUPAC Name:
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
InChI:
InChI=1S/C14H14N2O3/c1-2-18-14(17)11-7-3-9(4-8-11)12-15-13(19-16-12)10-5-6-10/h3-4,7-8,10H,2,5-6H2,1H3
InChI Key:
YUKRBJVOIXTABL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1noc(n1)C1CC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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