4-Hydroxy-6,8-dimethoxyquinoline-3-carboxylic acid
Basic information
- CAS
111185-88-7- Standard SMILES
COc1cc(OC)c2[nH]cc(C(=O)O)c(=O)c2c1- InChIKey
UAUGYIAYNNSEBS-UHFFFAOYSA-N- Molecular formula
- C12H11NO5
- Average molar mass
- 249.22 g/mol
- Monoisotopic mass
- 249.06372245
Names & identifiers
- Preferred name
- 4-Hydroxy-6,8-dimethoxyquinoline-3-carboxylic acid
- IUPAC
- 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
Names & synonyms
4-hydroxy-6,8-dimethoxyquinoline-3-carboxylic acid874498-79-0DTXSID70352760RefChem:523892DTXCID40303825107-695-073674-79-0111185-88-76,8-Dimethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic Acid6,8-Dimethoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid6,8-dimethoxy-4-oxohydroquinoline-3-carboxylic acid
Show more names
9000AE3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-dimethoxy-4-oxo-CHEMBL217736SCHEMBL30353206ZJB49879MFCD11868246SBB016299STL372966
Database identifiers
- CAS
111185-88-7、874498-79-0- PubChem CID
- 735359
- DTXSID
DTXSID70352760- ChEMBL
CHEMBL217736- EC Number
- 107-695-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…