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2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-8-ol , CAS No.1246088-43-6
Discover 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-8-ol by Aladdin Scientific in for only $761.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
BS-19632 | 3,5-dihydro-2H-[1,4]dioxino[2,3-b]pyridin-8-one | 2,3-Dihydro[1,4]dioxino[2,3-b]pyridin-8(5H)-one | 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-8-ol | MFCD17171314 | 1246088-43-6 | 1,4-Dioxino[2,3-b]pyridin-8-ol, 2,3-dihydro- | A890430 | WZB08843 |
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Pyridines and derivatives Para dioxins Vinylogous esters Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Pyridine - Para-dioxin - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
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
3,5-dihydro-2H-[1,4]dioxino[2,3-b]pyridin-8-one
INCHI
InChI=1S/C7H7NO3/c9-5-1-2-8-7-6(5)10-3-4-11-7/h1-2H,3-4H2,(H,8,9)
InChIKey
SXRLRBBARNJINI-UHFFFAOYSA-N
Smiles
C1COC2=C(O1)C(=O)C=CN2
Isomeric SMILES
C1COC2=C(O1)C(=O)C=CN2
PubChem CID
49761559
Molecular Weight
153.14
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
153.140 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
153.043 Da
Monoisotopic Mass
153.043 Da
Topological Polar Surface Area
47.600 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
254.000
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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