(S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid dihydrate
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Basic information
- CAS
210709-23-2- Standard SMILES
O.O.O=C(O)[C@@H]1Cc2ccc(O)cc2CN1- InChIKey
DXYVRJFEKNLUME-WWPIYYJJSA-N- Molecular formula
- C10H15NO5
- Average molar mass
- 229.23 g/mol
Names & identifiers
- Preferred name
- (S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid dihydrate
- IUPAC
- (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;dihydrate
- English name
- H-Tic(OH)-OH . 2H2O
- Molecular formula
- C10H15NO5
- Molecular weight
- 229.2298
Names & synonyms
210709-23-2(S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid dihydrate(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;dihydrate(3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrateH-Tic(OH)-OH . 2HMFCD00819133CS-0336470(S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicaciddihydrate(3S)-1,2,3,4-Tetrahydro-7-hydroxy-3-isoquinolinecarboxylic acid dihydrate
Database identifiers
- CAS
210709-23-2
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
Related reactions
0 records
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Compound notes
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