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6-Methoxy-2-naphthoic Acid - 10mM in DMSO, high purity , CAS No.2471-70-7
Basic Description
Synonyms
6-Methoxy-2-naphthoic acid | 2471-70-7 | 6-methoxynaphthalene-2-carboxylic acid | 2-Naphthalenecarboxylic acid, 6-methoxy- | Naproxen Impurity O | 6-Methoxy-2-naphthalenecarboxylic acid | NSC-408786 | 2-Methoxy-6-naphthalenecarboxylic acid | 65IH1SV66A | MFCD00092750 | 6-Met
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenecarboxylic acids
Alternative Parents
Anisoles Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - Phenol ether - Anisole - Alkyl aryl ether - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
6-methoxynaphthalene-2-carboxylic acid
INCHI
InChI=1S/C12H10O3/c1-15-11-5-4-8-6-10(12(13)14)3-2-9(8)7-11/h2-7H,1H3,(H,13,14)
InChIKey
YZBILXXOZFORFE-UHFFFAOYSA-N
Smiles
COC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
Isomeric SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
WGK Germany
3
Molecular Weight
202.21
Beilstein
10(4)1194
Reaxy-Rn
2211233
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211233&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
201-206 °C
Molecular Weight
202.210 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
202.063 Da
Monoisotopic Mass
202.063 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
239.000
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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