7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Basic information
- CAS
53164-36-6- Standard SMILES
Cc1ccc2c(=O)c(C(=O)O)c[nH]c2c1C- InChIKey
NDYCTYRHTJYACP-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 7,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylicacid,4-hydroxy-7,8-dimethyl-(9CI)
- Molecular formula
- C12H11NO3
- Molecular weight
- 217.22
Names & synonyms
53164-36-67,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acidDTXSID60352759RefChem:309967DTXCID803038244-hydroxy-7,8-dimethylquinoline-3-carboxylic acid7,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid7,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic AcidMFCD000240053-Quinolinecarboxylicacid,4-hydroxy-7,8-dimethyl-(9CI)111185-91-24-HYDROXY-7,8-DIMETHYL-3-QUINOLINECARBOXYLIC ACID
Show more names
3-Quinolinecarboxylic acid, 4-hydroxy-7,8-dimethyl-
7,8-dimethyl-4-oxohydroquinoline-3-carboxylic acidCHEMBL384229SCHEMBL9655373DCA16436SBB016294STL372992AKOS000273787AKOS005141847
Database identifiers
- CAS
53164-36-6- PubChem CID
- 735358
- DTXSID
DTXSID60352759- ChEMBL
CHEMBL384229- EC Number
- 803-823-0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- HS Code
- 2933499090 · 2933499090
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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