3-Methoxy-4-nitrobenzyl alcohol - CAS 80866-88-2
Catalog: |
BB036569 |
Product Name: |
3-Methoxy-4-nitrobenzyl alcohol |
CAS: |
80866-88-2 |
Synonyms: |
(3-methoxy-4-nitrophenyl)methanol |
IUPAC Name: | (3-methoxy-4-nitrophenyl)methanol |
Description: | 3-Methoxy-4-nitrobenzyl alcohol (CAS# 80866-88-2) is a useful research chemical. |
Molecular Weight: | 183.16 |
Molecular Formula: | C8H9NO4 |
Canonical SMILES: | COC1=C(C=CC(=C1)CO)[N+](=O)[O-] |
InChI: | InChI=1S/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3 |
InChI Key: | AADYWCBPJZAJNU-UHFFFAOYSA-N |
Boiling Point: | 367.3 ℃ at 760 mmHg |
Density: | 1.316 g/cm3 |
LogP: | 1.61890 |
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 |
WO-2021154207-A1 | Inkjet compositions | 20200128 |
WO-2021127743-A1 | Substituted hydroxystilbene compounds and derivatives synthesis and uses thereof | 20191223 |
KR-20190114910-A | Novel Sulfonamide Derivative as mutant Epidermal Growth Factor Receptor Inhibitor | 20180330 |
WO-2019190259-A1 | Novel sulfonamide derivative having inhibitory effect on epidermal growth factor receptor mutation | 20180330 |
AU-2018297592-A1 | New substituted azaindoline derivatives as NIK inhibitors | 20170706 |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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