1-Naphthoic acid - CAS 86-55-5
Catalog: |
BB037984 |
Product Name: |
1-Naphthoic acid |
CAS: |
86-55-5 |
Synonyms: |
naphthalene-1-carboxylic acid |
IUPAC Name: | naphthalene-1-carboxylic acid |
Description: | 1-Naphthoic acid (CAS# 86-55-5) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C11H8O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC=C2C(=O)O |
InChI: | InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13) |
InChI Key: | LNETULKMXZVUST-UHFFFAOYSA-N |
Boiling Point: | 300 °C |
Melting Point: | 158-162 °C |
Purity: | 98 % |
Density: | 1.398 g/cm3 |
Appearance: | Off-white to beige powder |
Storage: | Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. |
MDL: | MFCD00004007 |
LogP: | 2.53800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10981872-B1 | Di(2-aryl hydrozonopropanal) arene derivatives | 20201027 |
US-10975102-B1 | Heterocyclic diazenyl pyridinone copper(II) complexes as pharmacological antitumor agents | 20200921 |
US-10836729-B1 | Metabolically stable 5-HMF derivatives for the treatment of hypoxia | 20200504 |
US-10780139-B1 | Hypericum revolutum extract as a vasodilator | 20200319 |
US-10842795-B1 | Chemosensitization of resistant Pseudomonas aeruginosa by synthetically related compounds | 20200107 |
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 |
26303895 | 20151101 | Design, synthesis, pharmacological characterization of a fluorescent agonist of the P2Y₁₄ receptor | Bioorganic & medicinal chemistry letters |
23646996 | 20130601 | Identification and characterization of 2-naphthoyl-coenzyme A reductase, the prototype of a novel class of dearomatizing reductases | Molecular microbiology |
23010265 | 20121101 | Synthesis and evaluation of naphthoic acid derivatives as fluorescent probes to screen advanced glycation end-products breakers | Bioorganic & medicinal chemistry letters |
22564331 | 20121001 | Identification of naphthalene carboxylase as a prototype for the anaerobic activation of non-substituted aromatic hydrocarbons | Environmental microbiology |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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