Basic information
- CAS
15495-16-6- Standard SMILES
O=Cc1cc(=O)[nH]c2ccccc12- InChIKey
VSYXGFNDDQVELE-UHFFFAOYSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767847
Names & identifiers
- Preferred name
- 2-Oxo-1,2-dihydroquinoline-4-carbaldehyde
- IUPAC
- 2-oxo-1H-quinoline-4-carbaldehyde
- English name
- 2-oxo-1,2-dihydroquinoline-4-carbaldehyde
- Molecular formula
- C10H7NO2
- Molecular weight
- 173.17
Names & synonyms
15495-16-62-oxo-1,2-dihydroquinoline-4-carbaldehydeDTXSID20301324RefChem:264811DTXCID702524582-oxo-1H-quinoline-4-carbaldehyde2-hydroxyquinoline-4-carbaldehyde4-formylcarbostyrilNSC142454Carbostyril-4-aldehyd2-Oxo-1,2-dihydro-4-quinolinecarbaldehyde2-oxo-1,2-dihydroquinoline-4-carboxaldehyde
Show more names
4-Quinolinecarboxaldehyde, 1,2-dihydro-2-oxo-
SCHEMBL96924SCHEMBL7297207SCHEMBL16431491SCHEMBL29950678SCHEMBL30429924QAA49516AT46907NSC-142454
Database identifiers
- CAS
15495-16-6- PubChem CID
- 285477
- DTXSID
DTXSID20301324- Nikkaji
- J1.429.869J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 267 °C · 267 °C
- Boiling point
- 424.2 · 424.2±45.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 10.95 · 10.95±0.70(Predicted)
- 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
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
5 records
Compound notes
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