4-Methoxy-1H-quinolin-2-one
Basic information
- CAS
27667-34-1- Standard SMILES
COc1cc(=O)[nH]c2ccccc12- InChIKey
LJYFMHAOCYPGMX-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Overview
4-Methoxy-1H-quinolin-2-one has been reported in Zanthoxylum simulans, Adiscanthus fusciflorus, and other organisms with data available.
Names & identifiers
- Preferred name
- 4-Methoxy-1H-quinolin-2-one
- IUPAC
- 4-methoxy-1H-quinolin-2-one
- English name
- 4-Methoxy-1H-quinolin-2-one
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
4-methoxyquinolin-2(1H)-one27667-34-14-Methoxy-1H-quinolin-2-one4-METHOXYQUINOLIN-2-OL84906-78-54-Methoxy-2(1H)-quinolinone2(1H)-Quinolinone, 4-methoxy-MFCD014638232-HYDROXY-4-METHOXYQUINOLINE4-methoxy-1,2-dihydroquinolin-2-one4-methoxy 2-quinolone4-methoxy-2-quinolone
Show more names
4-Methoxy-2-quinolinone4-Methoxy-quinolin-2-ol
2-hydroxy4-methoxyquinolineOprea1_123612Oprea1_1735124-methoxyhydroquinolin-2-one4-Methoxy-2(1H)-quinoloneSCHEMBL2799080SCHEMBL3975484SCHEMBL3975486
Database identifiers
- CAS
27667-34-1- PubChem CID
- 600167
- DTXSID
DTXSID70344887- Nikkaji
- J928.394C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 271 °C · 271 °C
- Boiling point
- 124 °C · 124 °C(Press: 8 Torr)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 10.86 · 10.86±0.70(Predicted)
- Appearance
- White to yellow Solid
- InChI
- 1S/C10H9NO2/c1-13-9-6-10(12)11-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,11,12)
- InChIKey
- LJYFMHAOCYPGMX-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P332+P313-P337+P313-P362+P364
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P332+P313-P337+P313-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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