Basic information
- CAS
24603-42-7- Standard SMILES
COC(=O)n1oc2ccccc2c1=O- InChIKey
MTQWWVBZEHWTKP-UHFFFAOYSA-N- Molecular formula
- C9H7NO4
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.0375077
Names & identifiers
- Preferred name
- Methyl 3-oxo-1,2-benzoxazole-2-carboxylate
- IUPAC
- methyl 3-oxo-1,2-benzoxazole-2-carboxylate
Names & synonyms
24603-42-7methyl 3-oxo-1,2-benzoxazole-2-carboxylateNSC355376DTXSID30320142NSC-355376Methyl 3-oxo-1,2-benzoxazole-2(3H)-carboxylate
Database identifiers
- CAS
24603-42-7- PubChem CID
- 337442
- DTXSID
DTXSID30320142
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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