4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic Acid - CAS 769132-76-5
Catalog: |
BB035750 |
Product Name: |
4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic Acid |
CAS: |
769132-76-5 |
Synonyms: |
4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid; 4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid |
IUPAC Name: | 4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid |
Description: | 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic Acid (CAS# 769132-76-5) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | CCC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C11H10N2O3/c1-2-9-12-10(13-16-9)7-3-5-8(6-4-7)11(14)15/h3-6H,2H2,1H3,(H,14,15) |
InChI Key: | FKTMJZFSKHVEBY-UHFFFAOYSA-N |
Boiling Point: | 411 °C at 760 mmHg |
Density: | 1.288 g/cm3 |
Appearance: | Powder |
MDL: | MFCD08060967 |
LogP: | 1.99720 |
Publication Number | Title | Priority Date |
TW-201922728-A | Novel heterocyclic compounds | 20171010 |
US-2020299277-A1 | Piperazine derivatives as magl inhibitors | 20171010 |
US-2019202853-A1 | Dna polymerase beta inhibitors | 20160819 |
US-10711027-B2 | DNA polymerase beta inhibitors | 20160819 |
EP-2408745-B1 | Piperidine derivatives as nk3 receptor antagonists | 20090319 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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