1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester
Basic information
- CAS
23824-30-8- Standard SMILES
CCOC(=O)C1NCC(O)c2cc(O)ccc21- InChIKey
OAYKONALAFMHSQ-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester
- IUPAC
- ethyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
- English name
- 1,2,3,4-Tetrahydro-4,6-dihydroxy-1-isoquinolinecarboxylic acid ethyl ester
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
23824-30-81-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-4,6-DIHYDROXY-, ETHYL ESTERRefChem:10556704,6-Dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid ethyl esterBRN 0486335ethyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-1,2,3,4-tetrahydro-, ethyl esterSCHEMBL5185322DTXSID309466241,2,3,4-Tetrahydro-4,6-dihydroxy-1-isoquinolinecarboxylic acid ethyl ester
Database identifiers
- CAS
23824-30-8- PubChem CID
- 32106
- DTXSID
DTXSID30946624- Nikkaji
- J41.119A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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