Basic information
- CAS
851628-34-7- Standard SMILES
Cc1ccc(-c2noc(CCCC(=O)O)n2)cc1- InChIKey
PPUHLVJYPWCTSG-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 4-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
- IUPAC
- 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
- English name
- 4-(3-P-TOLYL-[1,2,4]OXADIAZOL-5-YL)-BUTYRIC ACID
- Molecular formula
- C13H14N2O3
- Molecular weight
- 246.26
Names & synonyms
851628-34-74-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid4-(3-p-Tolyl-[1,2,4]oxadiazol-5-yl)-butyric acid4-(3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)butanoic acidMFCD063835114-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]butanoic acidCHEMBL4650666SCHEMBL24326607DTXSID00368798ALBB-007446SBB011877AKOS000265223
Show more names
AKOS BB-7108ZERENEX E/5111207TIMTEC-BB SBB011877CHEMBRDG-BB 7939500ASINEX-REAG BAS 098906721,2,4-Oxadiazole-5-butanoic acid, 3-(4-methylphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butyric acid
LS-02788ST071044CS-0315545H24608F0587944-(3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)butanoicacidZ57674486
Database identifiers
- CAS
851628-34-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 457.4 · 457.4±55.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- pka
- 4.54 · 4.54±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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