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6-Allyl-2,3-dimethoxypyridine , CAS No.1087659-29-7
Discover 6-Allyl-2,3-dimethoxypyridine by Aladdin Scientific in for only $605.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
FT-0709956 | 6-Allyl-2,3-dimethoxypyridine | MFCD11857640 | 1087659-29-7 | 2,3-dimethoxy-6-prop-2-enylpyridine | DTXSID40670145 | 6-Allyl-2,3-dimethoxypyridine, AldrichCPR | AKOS006344307 | 2,3-dimethoxy-6-(prop-2-en-1-yl)pyridine
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 Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic 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
2,3-dimethoxy-6-prop-2-enylpyridine
INCHI
InChI=1S/C10H13NO2/c1-4-5-8-6-7-9(12-2)10(11-8)13-3/h4,6-7H,1,5H2,2-3H3
InChIKey
DWNPBGILLMBQPP-UHFFFAOYSA-N
Smiles
COC1=C(N=C(C=C1)CC=C)OC
Isomeric SMILES
COC1=C(N=C(C=C1)CC=C)OC
WGK Germany
3
PubChem CID
45361764
Molecular Weight
179.22
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
179.220 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
179.095 Da
Monoisotopic Mass
179.095 Da
Topological Polar Surface Area
31.400 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
161.000
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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