3-Methyl-5-[(2-methylphenoxy)methyl]-4-isoxazolecarboxylic acid
Basic information
- CAS
106967-81-1- Standard SMILES
Cc1ccccc1OCc1onc(C)c1C(=O)O- InChIKey
UYZNIENWVDTUOD-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- 3-Methyl-5-[(2-methylphenoxy)methyl]-4-isoxazolecarboxylic acid
- IUPAC
- 3-methyl-5-[(2-methylphenoxy)methyl]-1,2-oxazole-4-carboxylic acid
Names & synonyms
DTXSID9011738093-Methyl-5-[(2-methylphenoxy)methyl]-4-isoxazolecarboxylic acid106967-81-13-Methyl-5-[(2-methylphenoxy)methyl]-1,2-oxazole-4-carboxylic acid
Database identifiers
- CAS
106967-81-1- PubChem CID
- 13612593
- DTXSID
DTXSID901173809
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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