4-(1-Hydroxy-2-propyn-1-yl)benzonitrile - CAS 1595-70-6
Catalog: |
BB011545 |
Product Name: |
4-(1-Hydroxy-2-propyn-1-yl)benzonitrile |
CAS: |
1595-70-6 |
Synonyms: |
4-(1-hydroxyprop-2-ynyl)benzonitrile; 4-(1-hydroxyprop-2-ynyl)benzonitrile |
IUPAC Name: | 4-(1-hydroxyprop-2-ynyl)benzonitrile |
Description: | 4-(1-Hydroxy-2-propyn-1-yl)benzonitrile (CAS# 1595-70-6 ) is a useful research chemical. |
Molecular Weight: | 157.17 |
Molecular Formula: | C10H7NO |
Canonical SMILES: | C#CC(C1=CC=C(C=C1)C#N)O |
InChI: | InChI=1S/C10H7NO/c1-2-10(12)9-5-3-8(7-11)4-6-9/h1,3-6,10,12H |
InChI Key: | JYVHGWRYMPXZHU-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
CZ-348999-A3 | Nicotinamide derivatives and pharmaceutical preparation containing thereof | 19980310 |
AU-6227398-A | Nicotinamide derivatives | 19970404 |
BG-64356-B1 | NICOTINAMIDE DERIVATIVES | 19970404 |
EA-003528-B1 | DERIVATIVES NICOTINAMIDA, THEIR APPLICATION, PHARMACEUTICAL COMPOSITION, METHOD OF TREATMENT AND METHOD OF INHIBITING PDE4 ISOFERMENTS | 19970404 |
EP-0971894-A1 | Nicotinamide derivatives | 19970404 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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