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99367-44-9,MFCD20441302
Catalog No.:AA00IK73
99367-44-9 | 1,3,4-Oxadiazole-2-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
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1g
98%
in stock  
$50.00
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5g
98%
in stock  
$178.00
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10g
98%
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$289.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IK73
Chemical Name:
1,3,4-Oxadiazole-2-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS Number:
99367-44-9
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
MDL Number:
MFCD20441302
IUPAC Name:
ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
InChI:
InChI=1S/C12H12N2O4/c1-3-17-12(15)11-14-13-10(18-11)8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3
InChI Key:
PZYYPTIVTNFIOR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(o1)c1ccc(cc1)OC
Properties
Computed Properties
 
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate 
99367-44-9 
ZINC85225013 
AKOS016007865 
DS-2671 
PB31968 
SEL12613577 
CJ-22327 
AB0068687 
AJ-127679 
AX8239409 
TC-161619 
AK109050 
4CH-012113 
CS-0045351 
ST24024976 
Z5425 
J3.608.656D 
Q-1373 
5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-carboxylic acid ethyl ester 
1,3,4-Oxadiazole-2-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester 
C12H12N2O4 
Ethyl5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate 
SCHEMBL163935 
CTK8C4714 
KS-00000QQC 
DTXSID40539809 
PZYYPTIVTNFIOR-UHFFFAOYSA-N 
ANW-72874 
MFCD20441302 
Literature
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