5,7-Dimethyl-4-hydroxyquinoline-3-carboxylic acid
Basic information
- CAS
948293-86-5- Standard SMILES
Cc1cc(C)c2c(=O)c(C(=O)O)c[nH]c2c1- InChIKey
OSORQRJBQWVNLE-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 5,7-Dimethyl-4-hydroxyquinoline-3-carboxylic acid
- IUPAC
- 5,7-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 5,7-DIMETHYL-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID
- Molecular formula
- C12H11NO3
- Molecular weight
- 217.22
Names & synonyms
948293-86-55,7-Dimethyl-4-hydroxyquinoline-3-carboxylic acid5,7-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid5,7-dimethyl-4-oxo-1H-quinoline-3-carboxylic AcidMFCD076445374-hydroxy-5,7-dimethylquinoline-3-carboxylic acid641993-20-63-quinolinecarboxylic acid, 4-hydroxy-5,7-dimethyl-4-Hydroxy-5,7-dimethyl-quinoline-3-carboxylic acid5,7-Dimethyl-4-hydroxy-3-quinolinecarboxylic acidDTXSID50398141ALBB-035206
Show more names
STL253580AKOS005142268AKOS009581535AB42064VS-09752DB-080091CS-0321663H48253
Database identifiers
- CAS
948293-86-5- PubChem CID
- 3944703
- DTXSID
DTXSID50398141
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
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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