Basic information
- Standard SMILES
CCOC(=O)C(O)c1cccc2cnccc12- InChIKey
SBHMULRSXNMZOH-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
Names & identifiers
- Preferred name
- Ethyl Hydroxy(isoquinolin-5-yl)acetate
- IUPAC
- ethyl 2-hydroxy-2-isoquinolin-5-ylacetate
Names & synonyms
SCHEMBL4025639SBHMULRSXNMZOH-UHFFFAOYSA-NAKOS015287622Ethyl Hydroxy(isoquinolin-5-yl)acetateDB-087458581812-70-6
Database identifiers
- PubChem CID
- 11368232
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
6 records
Compound notes
Loading…