Basic information
- CAS
101670-58-0- Standard SMILES
O=C1[NH2+]CC(O)c2ccc(O)c(O)c21.[Cl-]- InChIKey
BMNBFRJBYVIOAY-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO4
- Average molar mass
- 231.63 g/mol
- Monoisotopic mass
- 231.0298355
Names & identifiers
- Preferred name
- 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)
- IUPAC
- 4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride
Names & synonyms
101670-58-0DTXSID509064673,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)RefChem:1065765DTXCID201335565P 15ISOQUINOLIN-1-ONE, 1,2,3,4-TETRAHYDRO-4,7,8-TRIHYDROXY-, HYDROCHLORIDE
Database identifiers
- CAS
101670-58-0- PubChem CID
- 58703
Properties
Computed structural properties
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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