3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoic acid - CAS 947013-64-1
Catalog: |
BB041460 |
Product Name: |
3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoic acid |
CAS: |
947013-64-1 |
Synonyms: |
3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoic acid; 3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoic acid |
IUPAC Name: | 3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoic acid |
Description: | 3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoic acid (CAS# 947013-64-1 ) is a useful research chemical. |
Molecular Weight: | 170.168 |
Molecular Formula: | C7H10N2O3 |
Canonical SMILES: | CCC1=NOC(=N1)CCC(=O)O |
InChI: | InChI=1S/C7H10N2O3/c1-2-5-8-6(12-9-5)3-4-7(10)11/h2-4H2,1H3,(H,10,11) |
InChI Key: | PWGZQPCRFOELNG-UHFFFAOYSA-N |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.06914219 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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