3-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid - CAS 738593-99-2
Catalog: |
BB055889 |
Product Name: |
3-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid |
CAS: |
738593-99-2 |
Synonyms: |
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic Acid; 3-(3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoic acid; 3-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-propanoic acid |
IUPAC Name: | 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid |
Description: | 3-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid |
Molecular Weight: | 278.26 |
Molecular Formula: | C13H14N2O5 |
Canonical SMILES: | COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)O)OC |
InChI: | InChI=1S/C13H14N2O5/c1-18-9-4-3-8(7-10(9)19-2)13-14-11(20-15-13)5-6-12(16)17/h3-4,7H,5-6H2,1-2H3,(H,16,17) |
InChI Key: | QYZVRXJSSXDRLV-UHFFFAOYSA-N |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.09027155 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.09027155 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 94.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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