2-Oxo-3-phenylpropanenitrile - CAS 33472-02-5
Catalog: |
BB021732 |
Product Name: |
2-Oxo-3-phenylpropanenitrile |
CAS: |
33472-02-5 |
Synonyms: |
2-oxo-3-phenylpropanenitrile; 2-phenylacetyl cyanide |
IUPAC Name: | 2-phenylacetyl cyanide |
Description: | 2-Oxo-3-phenylpropanenitrile (CAS# 33472-02-5 ) is a useful research chemical. |
Molecular Weight: | 145.16 |
Molecular Formula: | C9H7NO |
Canonical SMILES: | C1=CC=C(C=C1)CC(=O)C#N |
InChI: | InChI=1S/C9H7NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5H,6H2 |
InChI Key: | PDSCZVMBATVEML-UHFFFAOYSA-N |
LogP: | 1.32178 |
Publication Number | Title | Priority Date |
KR-101702464-B1 | Compositions for prevention and treatment of Cancer | 20150727 |
ES-2549132-T3 | 2-Aryl-3,5-dicyano-4-indazolyl-6-methyl-1,4-dihydropyridines substituted with fluoro and uses thereof | 20091111 |
AU-2009218515-A1 | Heterocyclic compounds as inhibitors of CXCR2 | 20080226 |
CA-2714500-A1 | Heterocyclic compounds as inhibitors of cxcr2 | 20080226 |
CN-101959889-A | Heterocyclic compounds as inhibitors of CXCR2 | 20080226 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.052763847 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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