Basic information
- CAS
37704-54-4- Standard SMILES
O=C1CCCc2cc(=O)[nH]c(O)c21- InChIKey
VJKJPPQJZHGUQP-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 8-Hydroxy-6,7-dihydroisoquinoline-1,3(2H,5H)-dione
- IUPAC
- 1-hydroxy-2,5,6,7-tetrahydroisoquinoline-3,8-dione
- English name
- 6,7-Dihydro-3-hydroxy-1,8(2H,5H)-isoquinolinedione
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
8-Hydroxy-6,7-dihydroisoquinoline-1,3(2H,5H)-dione37704-54-41,8(2H,5H)-Isoquinolinedione, 6,7-dihydro-3-hydroxy-DTXSID90715777VJKJPPQJZHGUQP-UHFFFAOYSA-N1,3-Dihydroxy-6,7-dihydro-8(5H)-isoquinolinone #6,7-Dihydro-3-hydroxy-1,8(2H,5H)-isoquinolinedione3,8(2H,5H)-Isoquinolinedione, 6,7-dihydro-1-hydroxy-
Database identifiers
- CAS
37704-54-4- PubChem CID
- 601657
- DTXSID
DTXSID90715777- Nikkaji
- J102.688G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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