Basic information
- Standard SMILES
CCOC(=O)c1cccc2oc(C)nc12- InChIKey
KCSAHIUWMDNNRY-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-benzooxazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-methyl-1,3-benzoxazole-4-carboxylate
Names & synonyms
2-Methyl-benzooxazole-4-carboxylic acid ethyl ester1108172-90-22-Methyl-benzoxazole-4-carboxylic Acid Ethyl EsterSCHEMBL982923KCSAHIUWMDNNRY-UHFFFAOYSA-NDB-338611
Database identifiers
- PubChem CID
- 59316840
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
5 records
Compound notes
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