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745055-24-7,MFCD14706165
Catalog No.:AA003IP5
745055-24-7 | 3-(3-(4-(2-Methoxyethoxy)phenyl)-1,2,4-oxadiazol-5-yl)benzoic acid
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Technical Information
Catalog Number:
AA003IP5
Chemical Name:
3-(3-(4-(2-Methoxyethoxy)phenyl)-1,2,4-oxadiazol-5-yl)benzoic acid
CAS Number:
745055-24-7
Molecular Formula:
C18H16N2O5
Molecular Weight:
340.3300
MDL Number:
MFCD14706165
IUPAC Name:
3-[3-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
InChI:
InChI=1S/C18H16N2O5/c1-23-9-10-24-15-7-5-12(6-8-15)16-19-17(25-20-16)13-3-2-4-14(11-13)18(21)22/h2-8,11H,9-10H2,1H3,(H,21,22)
InChI Key:
GHZLPZGBHDIIPA-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1)c1noc(n1)c1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.106g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
340.335g/mol
Monoisotopic Mass:
340.106g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
745055-24-7 
3-(3-(4-(2-methoxyethoxy)phenyl)-1,2,4-oxadiazol-5-yl)benzoic acid 
ACT06540 
1573AC 
ANW-52780 
CM-066 
MFCD14706165 
ZINC66331746 
AKOS005146481 
EX-8494 
RTC-063043 
TRA0073738 
3-[3-[4-(2-Methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid 
KS-000000Y7 
AK-31953 
AJ-116130 
AX8215981 
DB-025953 
TC-063043 
4CH-023624 
FT-0756927 
ST24041420 
I06-2254 
Benzoic acid, 3-[3-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]- 
3-(3-(4-(2-methoxyethoxy)phenyl)-1,2,4-oxadiazol- 5-yl)benzoic acid 
3-(3-(4-(2-methoxyethoxy)phenyl)-1,2,4-oxadiazol- 5-yl)benzoic acid 
C18H16N2O5 
A15786 
3-[3-(4-(2-Methoxyethoxy)phenyl)-1,2,4-oxadiazol-5-yl]benzoic acid 
3-{3-[4-(2-METHOXYETHOXY)PHENYL]-1,2,4-OXADIAZOL-5-YL}BENZOIC ACID 
ACMC-20a1fi 
SCHEMBL4876056 
CTK5D9979 
DTXSID70676478 
Literature
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