HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2480921Generated: November 5, 2026
4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
Albb-007446 · AKOS BB-7108 · ZERENEX E/5111207 · TIMTEC-BB SBB011877 · CHEMBRDG-BB 7939500 · ASINEX-REAG BAS 09890672 · 4-(3-P-TOLYL-[1,2,4]OXADIAZOL-5-YL)-BUTYRIC ACID · 4-(3-(P-tolyl)-1,2,4-oxadiazol-5-yl)butanoic acid
https://huagongshe.com/en/chemical/2480921
Identifiers & Physical Properties
| CAS No. | 851628-34-7 |
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| Molecular formula | C13H14N2O3 |
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| Average molar mass | 246.26 g/mol |
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| Monoisotopic mass | 246.10044231 g/mol |
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| SMILES | Cc1ccc(-c2noc(CCCC(=O)O)n2)cc1 |
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| InChIKey | PPUHLVJYPWCTSG-UHFFFAOYSA-N |
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| PubChem CID | 2480921 |
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| ChEMBL | CHEMBL4650666 |
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| DTXSID | DTXSID00368798 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 76.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 277 |
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| Boiling point | 457.4±55.0 °C(Predicted) |
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| Density | 1.227±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 4.54±0.10(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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![4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid molecular structure](/img/chemical/2480921.png)