2-Methylquinoline-3,4-dicarboxylic acid
Basic information
- CAS
88344-65-4- Standard SMILES
Cc1nc2ccccc2c(C(=O)O)c1C(=O)O- InChIKey
BQGFRFCKVQNHEC-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Overview
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Names & identifiers
- Preferred name
- 2-Methylquinoline-3,4-dicarboxylic acid
- IUPAC
- 2-methylquinoline-3,4-dicarboxylic acid
- English name
- 2-Methylquinoline-3,4-dicarboxylic acid
- Molecular formula
- C12H9NO4
- Molecular weight
- 231.2
Names & synonyms
2-methylquinoline-3,4-dicarboxylic acid88344-65-4MFCD001106783,4-Quinolinedicarboxylic acid, 2-methyl-2-methyl-3,4-quinolinedicarboxylic acidMaybridge3_0032342-METHYLQUINOLINE-3,4-DICARBOXYLICACIDCambridge id 5936805Oprea1_718704SCHEMBL353201SCHEMBL29415444DTXSID70350701
Show more names
AKOS BC-0744
HMS1440C222-methylquinoline-3,4-dicarboxylicALBB-026512STK720121AKOS004119505CCG-253239SB71735IDI1_014621
Database identifiers
- CAS
88344-65-4- PubChem CID
- 686387
- DTXSID
DTXSID70350701- Nikkaji
- J1.430.198D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 225 °C · 225 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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