Basic information
- CAS
61659-11-8- Standard SMILES
CC1(C(=O)O)NCCc2cc(O)ccc21- InChIKey
NBFWAWNEGSVBKB-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-1-methyl-
- IUPAC
- 6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
Names & synonyms
61659-11-86-hydroxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-1-methyl-DTXSID403442786-Hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Database identifiers
- CAS
61659-11-8- PubChem CID
- 595668
- DTXSID
DTXSID40344278
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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