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4，7-Dimethoxy-1-naphthoic acid - ≥95%, high purity , CAS No.90381-45-6
Discover 4，7-Dimethoxy-1-naphthoic acid by Aladdin Scientific in ≥95% for only $98.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4,7-Dimethoxy-1-naphthoic acid | 90381-45-6 | 4,7-dimethoxynaphthalene-1-carboxylic acid | SCHEMBL2324055 | DTXSID60584593 | PCBJZCAKNURVSK-UHFFFAOYSA-N | 4,7-Dimethoxy-1-naphthoic acid,97% | 4,7-Dimethoxy-1-naphthoic acid, 97%
Specifications & Purity
≥95%
Shipped In
Normal
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
P-methoxybenzoic acids and derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalenecarboxylic acid - P-methoxybenzoic acid or derivatives - Anisole - Alkyl aryl ether - Monocarboxylic acid or derivatives - 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.
Names and Identifiers
IUPAC Name
4,7-dimethoxynaphthalene-1-carboxylic acid
INCHI
InChI=1S/C13H12O4/c1-16-8-3-4-9-11(7-8)10(13(14)15)5-6-12(9)17-2/h3-7H,1-2H3,(H,14,15)
InChIKey
PCBJZCAKNURVSK-UHFFFAOYSA-N
Smiles
COC1=CC2=C(C=CC(=C2C=C1)OC)C(=O)O
Isomeric SMILES
COC1=CC2=C(C=CC(=C2C=C1)OC)C(=O)O
WGK Germany
3
Molecular Weight
232.23
Reaxy-Rn
6722778
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6722778&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
232.230 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
232.074 Da
Monoisotopic Mass
232.074 Da
Topological Polar Surface Area
55.800 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
279.000
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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