4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid - CAS 1153313-94-0
Catalog: |
BB003547 |
Product Name: |
4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid |
CAS: |
1153313-94-0 |
Synonyms: |
4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid; 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid |
IUPAC Name: | 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid |
Description: | 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid (CAS# 1153313-94-0) is a useful research chemical. |
Molecular Weight: | 198.222 |
Molecular Formula: | C9H14N2O3 |
Canonical SMILES: | CCCC1=NOC(=N1)CCCC(=O)O |
InChI: | InChI=1S/C9H14N2O3/c1-2-4-7-10-8(14-11-7)5-3-6-9(12)13/h2-6H2,1H3,(H,12,13) |
InChI Key: | IUYDTYGTSNWBNY-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.10044231 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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