3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one
Basic information
- CAS
67867-47-4- Standard SMILES
CC(=O)c1cc2c(=O)c3ccccc3oc2nc1C- InChIKey
BSWKWHNLWRLQLZ-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one
- IUPAC
- 3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
- English name
- 3-Acetyl-2-methyl-5H-chromeno[2,3-b]pyridin-5-one
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
67867-47-43-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-oneDTXSID403470273-Acetyl-2-methyl-5H-(1)benzopyrano(2,3-b)pyridin-5-oneRefChem:276184DTXCID30298099633-178-93-Acetyl-2-methyl-5H-chromeno[2,3-b]pyridin-5-one3-acetyl-2-methylchromeno[2,3-b]pyridin-5-oneMLS000028299CHEMBL1715878SCHEMBL17072179
Show more names
3-acetyl-2-methyl-5H-(1)benzopyrano-(2,3-B)pyridi3-ACETYL-2-METHYL-5 H-[1]BENZOPYRANO[2,3-B]PYRIDIN-5-ONE5H-[1]Benzopyrano[2,3-b]pyridin-5-one, 3-acetyl-2-methyl-3-Acetyl-2-methyl-5H[1]benzopyrano-[2,3-b]-pyridine-5-one3-Acetyl-2-methyl-5-oxo-(5H)-[1]benzopyrano[2.3-b]pyradin-5-oneJRH-03001, 3-Acetyl-2-methyl-5H-chromeno[2,3-b]pyridin-5-one, 97%3-ACETYL-2-METHYL-5-OXO-5H(1)BENZOPYRANO-(2,3-B)-PYRADIN-5-ONE 99%
HMS2174H10STK525316AKOS005459029NCGC00018953-01NCGC00018953-02SMR000037686DB-022159ST50319625
Database identifiers
- CAS
67867-47-4- PubChem CID
- 617281
- DTXSID
DTXSID40347027- ChEMBL
CHEMBL1715878- EC Number
- 633-178-9
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 212 · 212-214 °C(lit.)
- Boiling point
- 457.6 · 457.6±45.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- -0.56 · -0.56±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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