3-(2-Hydroxyacetyl)benzonitrile - CAS 83112-50-9
Catalog: |
BB036967 |
Product Name: |
3-(2-Hydroxyacetyl)benzonitrile |
CAS: |
83112-50-9 |
Synonyms: |
3-(2-hydroxy-1-oxoethyl)benzonitrile; 3-(2-hydroxyacetyl)benzonitrile |
IUPAC Name: | 3-(2-hydroxyacetyl)benzonitrile |
Description: | 3-(2-Hydroxyacetyl)benzonitrile (CAS# 83112-50-9) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)CO)C#N |
InChI: | InChI=1S/C9H7NO2/c10-5-7-2-1-3-8(4-7)9(12)6-11/h1-4,11H,6H2 |
InChI Key: | RPDWLOIHBKPAIE-UHFFFAOYSA-N |
LogP: | 0.73328 |
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 |
AU-2009290849-A1 | Novel imidazolidine compounds as androgen receptor modulators | 20080911 |
AU-2009290849-B2 | Novel imidazolidine compounds as androgen receptor modulators | 20080911 |
CA-2736364-A1 | Imidazolidine compounds and their use as androgen receptor modulators. | 20080911 |
CA-2736364-C | Imidazolidine compounds and their use as androgen receptor modulators. | 20080911 |
CN-102149687-A | Novel imidazolidine compounds as androgen receptor modulators | 20080911 |
Complexity: | 216 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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