Basic information
- CAS
55329-72-1- Standard SMILES
CCOC(=O)Cc1cc2cc(OCC)ncc2cc1C- InChIKey
CNQAOAVWHXOKHF-UHFFFAOYSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.13649347
Names & identifiers
- Preferred name
- Ethyl 2-(3-ethoxy-7-methylisoquinolin-6-yl)acetate
- IUPAC
- ethyl 2-(3-ethoxy-7-methylisoquinolin-6-yl)acetate
Names & synonyms
NSC29575455329-72-1DTXSID50315656NSC-295754Ethyl (3-ethoxy-7-methylisoquinolin-6-yl)acetate
Database identifiers
- CAS
55329-72-1- PubChem CID
- 326063
- DTXSID
DTXSID50315656
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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