6-Carbamoylquinoline-3-carboxylic acid
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Basic information
- CAS
1403746-66-6- Standard SMILES
NC(=O)c1ccc2ncc(C(=O)O)cc2c1- InChIKey
CLZDNVPHNCYLNY-UHFFFAOYSA-N- Molecular formula
- C11H8N2O3
- Average molar mass
- 216.19 g/mol
Names & identifiers
- Preferred name
- 6-Carbamoylquinoline-3-carboxylic acid
- IUPAC
- 6-carbamoylquinoline-3-carboxylic acid
- English name
- 6-carbamoylquinoline-3-carboxylic acid
- Molecular formula
- C11H8N2O3
- Molecular weight
- 216.19
Names & synonyms
6-carbamoylquinoline-3-carboxylic acid1403746-66-63-Quinolinecarboxylic acid, 6-(aminocarbonyl)-MFCD28339652SCHEMBL13386768CLZDNVPHNCYLNY-UHFFFAOYSA-N6-carbamoylquinoline-3-carboxylicacidAKOS027338294SB70453AS-49610DB-140220DB-253532
Show more names
6-(Aminocarbonyl)-3-quinolinecarboxylic acidK10023F501697
Database identifiers
- CAS
1403746-66-6
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 527.1 · 527.1±35.0 °C(Predicted)
- Density
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- pka
- 2.06 · 2.06±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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