Basic information
- CAS
835594-18-8- Standard SMILES
COCc1cc(-c2ccc(C(=O)O)cc2)no1- InChIKey
JJXIMQTZVMGMCL-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- 4-[5-(Methoxymethyl)-1,2-oxazol-3-yl]benzoic acid
- IUPAC
- 4-[5-(methoxymethyl)-1,2-oxazol-3-yl]benzoic acid
Names & synonyms
4-[5-(Methoxymethyl)-1,2-oxazol-3-yl]benzoic acid835594-18-8DTXSID10834555
Database identifiers
- CAS
835594-18-8- PubChem CID
- 71415134
- DTXSID
DTXSID10834555
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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