1,4-Dihydroxy-2-naphthoic acid - CAS 31519-22-9
Catalog: |
BB020952 |
Product Name: |
1,4-Dihydroxy-2-naphthoic acid |
CAS: |
31519-22-9 |
Synonyms: |
1,4-dihydroxynaphthalene-2-carboxylic acid |
IUPAC Name: | 1,4-dihydroxynaphthalene-2-carboxylic acid |
Description: | 1,4-Dihydroxy-2-naphthoic acid (CAS# 31519-22-9) is a useful research chemical. |
Molecular Weight: | 204.18 |
Molecular Formula: | C11H8O4 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O |
InChI: | InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15) |
InChI Key: | VOJUXHHACRXLTD-UHFFFAOYSA-N |
Boiling Point: | 461.7 °C at 760 mmHg |
Density: | 1.535 g/cm3 |
MDL: | MFCD00010370 |
LogP: | 1.94920 |
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 |
CN-112402462-A | Application of lactobacillus rhamnosus Probio-M9 and product thereof in preparing colon repair agent | 20201125 |
WO-2021207725-A1 | Lipocalin-2 assay for intestinal adaptation | 20200410 |
CN-111471634-A | Method for genetically modifying bacillus subtilis, strain obtained by method and application of strain | 20200314 |
EP-3875098-A1 | Use of coprococcus bacteria for the treatment of metabolic syndrome and inflammatory bowel diseases | 20200304 |
WO-2021172341-A1 | Photoradically polymerizable composition | 20200227 |
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 |
22449052 | 20120426 | Discovery of selective menaquinone biosynthesis inhibitors against Mycobacterium tuberculosis | Journal of medicinal chemistry |
22170109 | 20120101 | Enantiomeric separation of some common controlled stimulants by capillary electrophoresis with contactless conductivity detection | Electrophoresis |
22235314 | 20120101 | Vitamins A & D inhibit the growth of mycobacteria in radiometric culture | PloS one |
21172397 | 20110701 | Safety of high doses of Propionibacterium freudenreichii ET-3 culture in healthy adult subjects | Regulatory toxicology and pharmacology : RTP |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.04225873 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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