Basic information
- CAS
438213-21-9- Standard SMILES
Cc1ccc2nc(-c3ccc(C)o3)cc(C(=O)O)c2c1- InChIKey
PMFGXMLJWRBNPW-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid
- IUPAC
- 6-methyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
- English name
- 6-Methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
438213-21-96-methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid6-methyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acidMFCD03420003Oprea1_655698IVK/1008774SCHEMBL28514597SCHEMBL29703004ALBB-000463BBL016665STK429564AKOS003300075
Show more names
6-methyl-2-(5-methyl-2-furyl)-4-quinolinecarboxylic acid4-Quinolinecarboxylic acid, 6-methyl-2-(5-methyl-2-furanyl)-
NCGC00280016-01ST092770VS-05456CS-0320048G688386-methyl-2-(5-methyl-2-furyl)cinchoninic acidAB01280415-01F364480
Database identifiers
- CAS
438213-21-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 443.2 · 443.2±45.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 1.04 · 1.04±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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