Basic information
- Standard SMILES
COC(=O)c1ccc2occ(CCN)c2c1- InChIKey
UGPDQVJPBULXSF-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(2-aminoethyl)-1-benzofuran-5-carboxylate
- IUPAC
- methyl 3-(2-aminoethyl)-1-benzofuran-5-carboxylate
Database identifiers
- PubChem CID
- 18175083
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
2 records
Compound notes
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