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8-Hydroxy-1-methylquinolinium

HCID 197979
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Basic information

CAS
46029-66-7
Standard SMILES
C[n+]1cccc2cccc(O)c21
InChIKey
BOYITWKGAJWSEJ-UHFFFAOYSA-O
Molecular formula
C10H10NO+
Average molar mass
160.19 g/mol
Monoisotopic mass
160.07623894

Names & identifiers

Preferred name
8-Hydroxy-1-methylquinolinium
IUPAC
1-methylquinolin-1-ium-8-ol

Names & synonyms

8-Hydroxy-1-methylquinoliniumSCHEMBL9288975CHEMBL1620374DTXSID309011728-Hydroxy-1-methylquinolin-1-iumAKOS000280734BRD-K23209238-001-01-746029-66-7

Database identifiers

CAS
46029-66-7
PubChem CID
197979
DTXSID
DTXSID30901172
ChEMBL
CHEMBL1620374

Properties

Computed structural properties

XLogP
2
Topological polar surface area
24.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Formal charge
1
Complexity
160

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Related reactions

1 records
New reaction record
HRID 197209 reaction equation
HRID 197209As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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