Basic information
- CAS
500025-25-2- Standard SMILES
COc1ccc(-c2noc(CCC(=O)O)n2)c(OC)c1- InChIKey
UZPKEFJOYDDECF-UHFFFAOYSA-N- Molecular formula
- C13H14N2O5
- Average molar mass
- 278.26 g/mol
Names & identifiers
- Preferred name
- 3-[3-(2,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
- IUPAC
- 3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
- English name
- 3-[3-(2,4-Dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-propionic acid
- Molecular formula
- C13H14N2O5
- Molecular weight
- 278.26
Names & synonyms
3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid500025-25-23-(3-(2,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoic acidMFCD051309551,2,4-oxadiazole-5-propanoic acid, 3-(2,4-dimethoxyphenyl)-SCHEMBL6325644ALBB-012740SBB027800STK801638AKOS000112027LS-03993CS-0317723
Show more names
ST5331846ASN 01520565AKOS BB-7085ZERENEX E/51111813-(2,4-Dimethoxyphenyl)-1,2,4-oxadiazole-5-propanoic acid1,2,4-oxadiazole-5-propanoic acid, 3-(2,4-dimethoxyphenyl)3-[3-(2,4-Dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-propionic acid
ST50331846H301053-(3-(2,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoicacid
Database identifiers
- CAS
500025-25-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [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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