2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Basic information
- CAS
23824-36-4- Standard SMILES
CCN1CC(O)c2cc(O)ccc2C1C(=O)O- InChIKey
AEZYBASQRZFBDR-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
- IUPAC
- 2-ethyl-4,6-dihydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Names & synonyms
23824-36-4DTXSID509466262-ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acidRefChem:1063053DTXCID701374904BRN 04136251-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-ethyl-Isoquinaldic acid, 1,2,3,4-tetrahydro-2-ethyl-4,6-dihydroxy-2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid
Database identifiers
- CAS
23824-36-4- PubChem CID
- 212044
- DTXSID
DTXSID50946626
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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