Basic information
- Standard SMILES
COC(=O)C1Cc2cc(O)c(O)cc2CN1- InChIKey
JVKJKADJNQEXEA-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
Names & identifiers
- Preferred name
- 3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6,7-dihydroxy-,methyl ester
- IUPAC
- methyl 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Names & synonyms
687619-47-2SCHEMBL5400583-isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6,7-dihydroxy-,methyl ester
Database identifiers
- PubChem CID
- 4835217
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
1 records
Compound notes
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