2-Naphthoic acid - CAS 93-09-4
Catalog: |
BB040770 |
Product Name: |
2-Naphthoic acid |
CAS: |
93-09-4 |
Synonyms: |
2-Naphthalenecarboxylic acid; 2-Carboxynaphthalene; 2-Maythic acid; 2-Naphthylcarboxylic acid; Isonaphthoic acid; NSC 59901; β-Naphthalenecarboxylic acid; β-Naphthoic acid |
IUPAC Name: | naphthalene-2-carboxylic acid |
Molecular Weight: | 172.18 |
Molecular Formula: | C11H8O2 |
Canonical SMILES: | C1=CC=C2C=C(C=CC2=C1)C(=O)O |
InChI: | InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13) |
InChI Key: | UOBYKYZJUGYBDK-UHFFFAOYSA-N |
Boiling Point: | >300°C |
Melting Point: | 185.5°C |
Flash Point: | 205 °C |
Purity: | ≥95% |
Density: | 0.9629 g/cm3 |
Solubility: | Soluble in DMF (Slightly), DMSO (Slightly), Methanol (Very Slightly) |
Appearance: | White Solid |
Storage: | Store at -20°C |
MDL: | MFCD00004101 |
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 |
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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 |
25299434 | 20141219 | Exploring a 2-naphthoic acid template for the structure-based design of P2Y14 receptor antagonist molecular probes | ACS chemical biology |
24599669 | 20140401 | Kinetic and spectroscopic characterization of 1-naphthol 2-hydroxylase from Pseudomonas sp. strain C5 | Applied biochemistry and biotechnology |
22623113 | 20120901 | Dissolution of weak acids under laminar flow and rotating disk hydrodynamic conditions: application of a comprehensive convection-diffusion-migration-reaction transport model | Journal of pharmaceutical sciences |
22324881 | 20120701 | Methanogenic biodegradation of two-ringed polycyclic aromatic hydrocarbons | FEMS microbiology ecology |
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: | 3.3 |
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