4-Methoxy-1-naphthol - CAS 84-85-5
Catalog: |
BB037341 |
Product Name: |
4-Methoxy-1-naphthol |
CAS: |
84-85-5 |
Synonyms: |
4-methoxynaphthalen-1-ol |
IUPAC Name: | 4-methoxynaphthalen-1-ol |
Description: | 4-Methoxy-1-naphthol (CAS# 84-85-5) is a useful research chemical compound. |
Molecular Weight: | 174.20 |
Molecular Formula: | C11H10O2 |
Canonical SMILES: | COC1=CC=C(C2=CC=CC=C21)O |
InChI: | InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3 |
InChI Key: | BOTGCZBEERTTDQ-UHFFFAOYSA-N |
Boiling Point: | 350.1 °C at 760 mmHg |
Melting Point: | 124 - 126 °C |
Density: | 1.193 g/cm3 |
Solubility: | 962.8 mg/L at 25 °C (est) |
Appearance: | Grey to brown-purple crystalline powder |
MDL: | MFCD00003976 |
LogP: | 2.55400 |
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 |
22314385 | 20120501 | The novel antibacterial compound walrycin A induces human PXR transcriptional activity | Toxicological sciences : an official journal of the Society of Toxicology |
20977727 | 20101026 | The Ve-mediated resistance response of the tomato to Verticillium dahliae involves H2O2, peroxidase and lignins and drives PAL gene expression | BMC plant biology |
20490877 | 20100901 | Aromatic C-H bond hydroxylation by P450 peroxygenases: a facile colorimetric assay for monooxygenation activities of enzymes based on Russig's blue formation | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry |
20500879 | 20100525 | Characterization of hemin-binding protein 35 (HBP35) in Porphyromonas gingivalis: its cellular distribution, thioredoxin activity and role in heme utilization | BMC microbiology |
20111065 | 20100301 | Novel antibacterial compounds specifically targeting the essential WalR response regulator | The Journal of antibiotics |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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