Ethyl Benzo[6,7]-4-oxo-4H-quinolizine-3-carboxlate
Basic information
- CAS
101192-30-7- Standard SMILES
CCOC(=O)c1ccc2ccc3ccccc3n2c1=O- InChIKey
YISZIUALHMRHMU-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- Ethyl Benzo[6,7]-4-oxo-4H-quinolizine-3-carboxlate
- IUPAC
- ethyl 1-oxobenzo[c]quinolizine-2-carboxylate
- English name
- Ethyl benzo[6,7]-4-oxo-4H-quinolizine-3-carboxlate
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
Ethyl Benzo[6,7]-4-oxo-4H-quinolizine-3-carboxlate101192-30-7ethyl 1-oxobenzo[c]quinolizine-2-carboxylateETHYL 1-OXO-1H-PYRIDO[1,2-A]QUINOLINE-2-CARBOXYLATEorb2566296SCHEMBL10740535DTXSID60392175HY-D1488AS-85031DA-63305CS-0531196H55208
Show more names
1-Oxo-1H-benzo[c]quinolizine-2-carboxylic Acid Ethyl Ester1H-Benzo[c]quinolizine-2-carboxylic acid, 1-oxo-, ethyl ester
T86388
Database identifiers
- CAS
101192-30-7- PubChem CID
- 3403699
- DTXSID
DTXSID60392175
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Melting point
- 106 · 106-108°C
- Boiling point
- 489.3 · 489.3±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- solubility
- soluble in No data available
- pka
- -0.77 · -0.77±0.40(Predicted)
- form
- Solid
- color
- Orange Crystalline
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA selective fluorophore which shows a strong fluorescent response to Magesium.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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