3-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoic acid
Basic information
- CAS
94192-18-4- Standard SMILES
COc1ccc(-c2noc(CCC(=O)O)n2)cc1- InChIKey
WRFNXLGYERRRTO-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.07970687
Names & identifiers
- Preferred name
- 3-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoic acid
- IUPAC
- 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
- English name
- 3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
- Molecular formula
- C12H12N2O4
- Molecular weight
- 248.23
Names & synonyms
94192-18-43-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid3-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoic acidDTXSID70351056RefChem:274066DTXCID10302123850-725-93-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-propionic acidMFCD000981871,2,4-Oxadiazole-5-propanoic acid, 3-(4-methoxyphenyl)-1,2,4-Oxadiazole-5-propanoicacid, 3-(4-methoxyphenyl)-SMR000132006
Show more names
3-propionic acid3-(4-Methoxy-phenyl)-1,2,4-oxadiazol-5-propanoic acid3-(4-Methoxyphenyl)-1,2,4-oxadiazole-5-propanoic acid
3-(3-(4-methoxyphenyl)-[1,2,4]-oxadiazol-5-yl) propanoic acidMaybridge3_001311MLS000521598SCHEMBL1567346CHEMBL1421066WRFNXLGYERRRTO-UHFFFAOYSA-NHMS1434L13HMS2542K15
Database identifiers
- CAS
94192-18-4- PubChem CID
- 689155
- DTXSID
DTXSID70351056- ChEMBL
CHEMBL1421066- EC Number
- 850-725-9
- Nikkaji
- J2.651.938A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 135 · 135-137 °C
- Boiling point
- 463.5 · 463.5±55.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 4.07 · 4.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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