5-Phenyl-1,3,4-oxadiazole-2-propionic acid - CAS 23464-98-4
Catalog: |
BB018071 |
Product Name: |
5-Phenyl-1,3,4-oxadiazole-2-propionic acid |
CAS: |
23464-98-4 |
Synonyms: |
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid |
IUPAC Name: | 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid |
Description: | 5-Phenyl-1,3,4-oxadiazole-2-propionic acid (CAS# 23464-98-4) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)O |
InChI: | InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15) |
InChI Key: | CUYMDSTYUZAYFH-UHFFFAOYSA-N |
Boiling Point: | 433.4 °C at 760 mmHg |
Appearance: | White to tan powder or crystals |
MDL: | MFCD01244502 |
LogP: | 1.75380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3538101-A1 | Inhibitors of cancer invasion, attachment, and/or metastasis | 20161114 |
US-2019263824-A1 | Inhibitors of cancer invasion, attachment, and/or metastasis | 20161114 |
WO-2018089967-A1 | Inhibitors of cancer invasion, attachment, and/or metastasis | 20161114 |
US-11008325-B2 | Inhibitors of cancer invasion, attachment, and/or metastasis | 20161114 |
US-2021214365-A1 | Inhibitors of cancer invasion, attachment, and/or metastasis | 20161114 |
Complexity: | 241 |
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: | 4 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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