Basic information
- CAS
7509-14-0- Standard SMILES
CCOC(=O)C1NC(=O)c2ccccc2C1=O- InChIKey
FRXDBCWCXJOMCG-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- Ethyl 1,4-dioxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
- IUPAC
- ethyl 1,4-dioxo-2,3-dihydroisoquinoline-3-carboxylate
Names & synonyms
7509-14-0NSC407255DTXSID50324622Ethyl 1,4-dioxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylateAKOS000281986AKOS040765478NSC-407255
Database identifiers
- CAS
7509-14-0- PubChem CID
- 348138
- DTXSID
DTXSID50324622
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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