4-Oxo-4-phenylbutanenitrile - CAS 5343-98-6
Catalog: |
BB028215 |
Product Name: |
4-Oxo-4-phenylbutanenitrile |
CAS: |
5343-98-6 |
Synonyms: |
4-oxo-4-phenylbutanenitrile |
IUPAC Name: | 4-oxo-4-phenylbutanenitrile |
Description: | 4-Oxo-4-phenylbutanenitrile (CAS# 5343-98-6) is a useful research chemical. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)CCC#N |
InChI: | InChI=1S/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7H2 |
InChI Key: | OSPRTYTUQJCKFF-UHFFFAOYSA-N |
Boiling Point: | 325.5 ℃ at 760 mmHg |
Density: | 1.08 g/cm3 |
MDL: | MFCD00126350 |
LogP: | 2.17308 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109324105-A | A kind of preparation method of Tripelennamine molecular imprinting electrochemical sensor | 20181106 |
CN-109324108-A | A kind of preparation method of Ebastine molecular imprinting electrochemical sensor | 20181106 |
CN-109324109-A | A kind of preparation method of chlorphenamine molecular imprinting electrochemical sensor | 20181106 |
EP-3371151-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
JP-2018534276-A | Compounds for cancer treatment and epigenetics | 20151009 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS