2-(4-Methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
Basic information
- CAS
2940-24-1- Standard SMILES
COc1ccc(-c2nc(C(=O)O)c(C)o2)cc1- InChIKey
AAGVOCGVJGNEII-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
- IUPAC
- 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
- English name
- 2-(4-Methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
- Molecular formula
- C12H11NO4
- Molecular weight
- 233.22
Names & synonyms
2940-24-12-(4-Methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid2-(4-Methoxyphenyl)-5-methyloxazole-4-carboxylic acidMFCD07379215CHEMBL6142514SCHEMBL6384893DTXSID70602035AAGVOCGVJGNEII-UHFFFAOYSA-NCAA94024BDBM50656210SBB053182AKOS006063589
Show more names
4-Oxazolecarboxylic acid, 2-(4-methoxyphenyl)-5-methyl-2-(4-methoxyphenyl)-5-methyl-1,3-azole-4-carboxylic acid
SY185506TS-00631DB-391623CS-0261958EN300-80658G32323F6734872-(4-Methoxyphenyl)-5-methyloxazole-4-carboxylicacid
Database identifiers
- CAS
2940-24-1- PubChem CID
- 20064153
- DTXSID
DTXSID70602035- ChEMBL
CHEMBL6142514
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 216 °C · 216 °C
- Boiling point
- 431.4 · 431.4±55.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 3.25 · 3.25±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…