1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-
Basic information
- CAS
23842-54-8- Standard SMILES
O=C(O)C1NCC(O)c2cc(O)ccc21- InChIKey
MEIKIYLBAAEQJC-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-
- IUPAC
- 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Names & synonyms
23842-54-81-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-RefChem:1055669BRN 04060274,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid1,2,3,4-Tetrahydro-4,6-dihydroxy-1-isoquinolinecarboxylic acidDTXSID70946648
Database identifiers
- CAS
23842-54-8- PubChem CID
- 212059
- DTXSID
DTXSID70946648
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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