4-Hydroxy-3-methoxyphenylacetonitrile - CAS 4468-59-1
Catalog: |
BB025694 |
Product Name: |
4-Hydroxy-3-methoxyphenylacetonitrile |
CAS: |
4468-59-1 |
Synonyms: |
2-(4-hydroxy-3-methoxyphenyl)acetonitrile |
IUPAC Name: | 2-(4-hydroxy-3-methoxyphenyl)acetonitrile |
Description: | 4-Hydroxy-3-methoxyphenylacetonitrile (CAS# 4468-59-1) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | COC1=C(C=CC(=C1)CC#N)O |
InChI: | InChI=1S/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3 |
InChI Key: | SDVYWMWQCJEYTC-UHFFFAOYSA-N |
Boiling Point: | 135-145 ℃ / 2 mmHg (lit.) |
Density: | 1.181 g/cm3 |
Appearance: | White to off-white powder or crystals |
MDL: | MFCD00001920 |
LogP: | 1.46688 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021289794-A1 | Compositions and related methods for agriculture | 20180725 |
US-2017036969-A1 | Nitrification inhibitors | 20140417 |
US-2017181435-A1 | Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides | 20140417 |
US-2017223964-A1 | Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides | 20140417 |
US-2015274660-A1 | INHIBITORS OF HISTONE METHYLTRANSFERASE G9a | 20140328 |
PMID | Publication Date | Title | Journal |
20229365 | 20100701 | Novel phenolic glycosides, adenophorasides A-E, from Adenophora roots | Journal of natural medicines |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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