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3-(Pyridin-2-yl)-2H-chromen-2-one - >98%(HPLC), high purity , CAS No.837-97-8
Discover 3-(Pyridin-2-yl)-2H-chromen-2-one by Aladdin Scientific in >98%(HPLC) for only $794.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-(Pyridin-2-yl)-2H-chromen-2-one | 837-97-8 | 3-pyridin-2-ylchromen-2-one | 3-(2-Pyridinyl)-2H-chromen-2-one | 3-(2-Pyridyl)coumarin | 3-(pyridin-2-yl)coumarin | SCHEMBL2430377 | DTXSID20453897 | 3-(Pyridin-2-yl)-2H-1-benzopyran-2-one
Specifications & Purity
≥98%(HPLC)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Pyranones and derivatives Pyridines and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Pyridine - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
3-pyridin-2-ylchromen-2-one
INCHI
InChI=1S/C14H9NO2/c16-14-11(12-6-3-4-8-15-12)9-10-5-1-2-7-13(10)17-14/h1-9H
InChIKey
KGVVGPACDARLID-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=CC=N3
Isomeric SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=CC=N3
PubChem CID
11064051
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
223.230 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
223.063 Da
Monoisotopic Mass
223.063 Da
Topological Polar Surface Area
39.200 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
337.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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