4-(2-Hydroxyacetyl)benzonitrile - CAS 36776-32-6
Catalog: |
BB023071 |
Product Name: |
4-(2-Hydroxyacetyl)benzonitrile |
CAS: |
36776-32-6 |
Synonyms: |
4-(2-hydroxy-1-oxoethyl)benzonitrile; 4-(2-hydroxyacetyl)benzonitrile |
IUPAC Name: | 4-(2-hydroxyacetyl)benzonitrile |
Description: | 4-(2-Hydroxyacetyl)benzonitrile (CAS# 36776-32-6 ) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | C1=CC(=CC=C1C#N)C(=O)CO |
InChI: | InChI=1S/C9H7NO2/c10-5-7-1-3-8(4-2-7)9(12)6-11/h1-4,11H,6H2 |
InChI Key: | CGYNMXWYNFMIPM-UHFFFAOYSA-N |
LogP: | 0.73328 |
Publication Number | Title | Priority Date |
CN-105636957-A | Tetrazolinone compound and application for same | 20131017 |
EP-3059235-A1 | Tetrazolinone compound and application for same | 20131017 |
JP-6350534-B2 | Tetrazolinone compounds and uses thereof | 20131017 |
JP-WO2015056806-A1 | Tetrazolinone compounds and uses thereof | 20131017 |
US-10085450-B2 | Tetrazolinone compound and use thereof | 20131017 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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