2-(4-Formylphenyl)acetonitrile - CAS 55211-74-0
Catalog: |
BB028947 |
Product Name: |
2-(4-Formylphenyl)acetonitrile |
CAS: |
55211-74-0 |
Synonyms: |
2-(4-formylphenyl)acetonitrile; 2-(4-formylphenyl)acetonitrile |
IUPAC Name: | 2-(4-formylphenyl)acetonitrile |
Description: | 2-(4-Formylphenyl)acetonitrile (CAS# 55211-74-0) is a useful research chemical. |
Molecular Weight: | 145.16 |
Molecular Formula: | C9H7NO |
Canonical SMILES: | C1=CC(=CC=C1CC#N)C=O |
InChI: | InChI=1S/C9H7NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,7H,5H2 |
InChI Key: | QKHSRQNYMRFQHB-UHFFFAOYSA-N |
LogP: | 1.56518 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018024602-A1 | 2,7-diazaspiro[4.4]nonanes | 20160804 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
EP-2558577-B1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
EP-3540059-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 20100416 |
Complexity: | 171 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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