2-(Hydroxymethyl)benzonitrile - CAS 89942-45-0
Catalog: |
BB039698 |
Product Name: |
2-(Hydroxymethyl)benzonitrile |
CAS: |
89942-45-0 |
Synonyms: |
2-(hydroxymethyl)benzonitrile; 2-(hydroxymethyl)benzonitrile |
IUPAC Name: | 2-(hydroxymethyl)benzonitrile |
Description: | 2-(Hydroxymethyl)benzonitrile (CAS# 89942-45-0) is a derivative of Benzonitrile (B204600), a commonly used precursor for synthesizing a wide range of aromatic compounds and also forms stable coordination complexes with transition metals. |
Molecular Weight: | 133.15 |
Molecular Formula: | C8H7NO |
Canonical SMILES: | C1=CC=C(C(=C1)CO)C#N |
InChI: | InChI=1S/C8H7NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,6H2 |
InChI Key: | NWRXEGKWQXAEHC-UHFFFAOYSA-N |
LogP: | 1.05058 |
Publication Number | Title | Priority Date |
CN-110835361-A | Sialic acid glycosyl donor and preparation method and application thereof | 20191021 |
US-2020399258-A1 | Benzisoxazole Sulfonamide Derivatives | 20190618 |
WO-2020154917-A1 | Phosphate and phosphonate based compounds of 6-thio-2'-deoxyguanosine as anti-cancer agents | 20190129 |
CN-109956889-A | A method of catalysis hydroxy aldehyde selection ammoxidation prepares hydroxyl nitrile | 20171214 |
CN-109956889-B | Method for preparing hydroxyl nitrile by selective ammoxidation of catalytic hydroxyaldehyde | 20171214 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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