Home Other Building Blocks 859155-81-0
859155-81-0,MFCD08061016
Catalog No.:AA003I2T
859155-81-0 | 3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
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1g
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$159.00   $112.00
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Technical Information
Catalog Number:
AA003I2T
Chemical Name:
3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
CAS Number:
859155-81-0
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD08061016
IUPAC Name:
3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O3/c1-2-9-12-10(13-16-9)7-4-3-5-8(6-7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChI Key:
ZUEUZEBBRRWMHB-UHFFFAOYSA-N
SMILES:
CCc1onc(n1)c1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
260  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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