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2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxylic acid , CAS No.1228665-94-8
Discover 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxylic acid by Aladdin Scientific in for only $605.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
FT-0753655 | SCHEMBL15306831 | D75314 | 1228665-94-8 | DTXSID40678383 | AKOS006332714 | 1,4-Dioxino[2,3-b]pyridine-8-carboxylic acid, 2,3-dihydro- | MFCD16628209 | 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxylic acid, AldrichCPR | A890920 | 2,3-Dihyd
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinecarboxylic acids
Alternative Parents
Alkyl aryl ethers Para dioxins Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine carboxylic acid - Alkyl aryl ether - Para-dioxin - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxylic acid
INCHI
InChI=1S/C8H7NO4/c10-8(11)5-1-2-9-7-6(5)12-3-4-13-7/h1-2H,3-4H2,(H,10,11)
InChIKey
YUYPCIREYQUIAA-UHFFFAOYSA-N
Smiles
C1COC2=NC=CC(=C2O1)C(=O)O
Isomeric SMILES
C1COC2=NC=CC(=C2O1)C(=O)O
Molecular Weight
181.15
Reaxy-Rn
32637132
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32637132&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
181.150 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
181.038 Da
Monoisotopic Mass
181.038 Da
Topological Polar Surface Area
68.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
208.000
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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