Y 9000
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Basic information
- CAS
53944-40-4- Standard SMILES
CC(=O)c1ccc2oc3ncccc3c(=O)c2c1- InChIKey
ZYGDCOJTJFQANG-UHFFFAOYSA-N- Molecular formula
- C14H9NO3
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.05824315
Overview
structure
Names & identifiers
- Preferred name
- Y 9000
- IUPAC
- 7-acetylchromeno[2,3-b]pyridin-5-one
- English name
- 7-Acetyl-5-oxo-5H-(1)benzopyra
- Molecular formula
- C14H9NO3
- Molecular weight
- 239.23
Names & synonyms
53944-40-4Y 9000Y-90005H-(1)Benzopyrano(2,3-b)pyridin-5-one, 7-acetyl-DTXSID90202233RefChem:195574DTXCID901247247-acetyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine7-acetylchromeno[2,3-b]pyridin-5-one7-acetyl-5H-chromeno[2,3-b]pyridin-5-one7-Acetyl-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine7-Acetyl-5H-[1]Benzopyrano[2,3-b]pyridin-5-one
Show more names
Y9000Praprofen Impurity 35Pranoprofen Impurity 62Pranoprofen Impurity 335,5'-oxybis(5H-chromeno[2,3-b]pyridine)5H-[1]Benzopyrano[2,3-b]pyridin-5-one,7-acetyl-
Ketone, methyl 5-oxo-5H-(1)benzopyrano(2,3-b)pyridylorb1701466SCHEMBL11811214ZYGDCOJTJFQANG-UHFFFAOYSA-N7-Acetyl-5-oxo-5H-(1)benzopyraAKOS027420461DB-253590HY-123013
Database identifiers
- CAS
53944-40-4- PubChem CID
- 198324
- DTXSID
DTXSID90202233- Nikkaji
- J3.768.829K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 446.8 · 446.8±45.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -0.21 · -0.21±0.20(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
Uses7-Acetyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine has the potential to show antihistiminic and anaphylactic compounds. Maintains potential anti-inflammatory compounds.
Related reactions
5 records
Compound notes
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