1,4-Dimethoxy-2-naphthoic acid - CAS 78265-13-1
Catalog: |
BB036144 |
Product Name: |
1,4-Dimethoxy-2-naphthoic acid |
CAS: |
78265-13-1 |
Synonyms: |
1,4-dimethoxynaphthalene-2-carboxylic acid |
IUPAC Name: | 1,4-dimethoxynaphthalene-2-carboxylic acid |
Description: | 1,4-Dimethoxy-2-naphthoic acid (CAS# 78265-13-1) is a useful research chemical. |
Molecular Weight: | 232.23 |
Molecular Formula: | C13H12O4 |
Canonical SMILES: | COC1=CC(=C(C2=CC=CC=C21)OC)C(=O)O |
InChI: | InChI=1S/C13H12O4/c1-16-11-7-10(13(14)15)12(17-2)9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,14,15) |
InChI Key: | BGJOEOQFJYFEGG-UHFFFAOYSA-N |
Boiling Point: | 402.1 ℃ at 760 mmHg |
Density: | 1.261 g/cm3 |
MDL: | MFCD00635100 |
LogP: | 2.55520 |
Publication Number | Title | Priority Date |
WO-2021172341-A1 | Photoradically polymerizable composition | 20200227 |
JP-2017008008-A | 1,4-bis (substituted oxy) -2-naphthoic acid compounds and uses thereof | 20150625 |
JP-6628075-B2 | 1,4-bis (substituted oxy) -2-naphthoic acid compound and use thereof | 20150625 |
CN-106146338-B | Naphthaquinone derivative containing adamantyl, preparation method and application thereof | 20150423 |
AU-2009205396-A1 | Cyclic triazo and diazo sodium channel blockers | 20080116 |
PMID | Publication Date | Title | Journal |
27837168 | 20170201 | Editor's Highlight: Microbial-Derived 1,4-Dihydroxy-2-naphthoic Acid and Related Compounds as Aryl Hydrocarbon Receptor Agonists/Antagonists: Structure-Activity Relationships and Receptor Modeling | Toxicological sciences : an official journal of the Society of Toxicology |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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