(3,5-Dimethoxyphenyl)acetonitrile - CAS 13388-75-5
Catalog: |
BB007830 |
Product Name: |
(3,5-Dimethoxyphenyl)acetonitrile |
CAS: |
13388-75-5 |
Synonyms: |
2-(3,5-dimethoxyphenyl)acetonitrile |
IUPAC Name: | 2-(3,5-dimethoxyphenyl)acetonitrile |
Description: | (3,5-Dimethoxyphenyl)acetonitrile (CAS# 13388-75-5) is a compound useful in organic synthesis. |
Molecular Weight: | 177.20 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | COC1=CC(=CC(=C1)CC#N)OC |
InChI: | InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3 |
InChI Key: | UUNRWZQWCNTSCV-UHFFFAOYSA-N |
Boiling Point: | >230 °C |
Purity: | 98 % |
Density: | 1.082 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD00016395 |
LogP: | 1.76988 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214104-A | Method for synthesizing aromatic acetamide | 20210416 |
CN-111205202-A | Quaternary carbon center-containing symmetric gem-difluoroolefin derivative and synthesis method thereof | 20200229 |
WO-2021113669-A1 | Cannabinoids and uses thereof | 20191204 |
KR-20210065883-A | Novel quinazoline redox derivatives and their use as bet inhibitors | 20191126 |
WO-2021107657-A1 | Novel quinazoline redox derivative, and use as bet inhibitor | 20191126 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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