2-Phenylisonicotinic Acid - CAS 55240-51-2
Catalog: |
BB028964 |
Product Name: |
2-Phenylisonicotinic Acid |
CAS: |
55240-51-2 |
Synonyms: |
2-phenyl-4-pyridinecarboxylic acid; 2-phenylpyridine-4-carboxylic acid |
IUPAC Name: | 2-phenylpyridine-4-carboxylic acid |
Description: | 2-Phenylisonicotinic Acid (CAS# 55240-51-2) is a useful research chemical. |
Molecular Weight: | 199.21 |
Molecular Formula: | C12H9NO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C12H9NO2/c14-12(15)10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15) |
InChI Key: | OMMKWOVBOKXXQU-UHFFFAOYSA-N |
Boiling Point: | 478.8 °C at 760 mmHg |
Density: | 1.241 g/cm3 |
MDL: | MFCD03086008 |
LogP: | 2.44680 |
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-2021051231-A1 | Photo-responsive coordination compounds with photo-controllable electron-transporting and electrical conducting properties, and fabrication of organic electronics and organic resistive memory devices with photo-switchable performance | 20190916 |
CN-109053815-A | A kind of iridium (III) complex and its preparation method and application | 20180921 |
WO-2019162323-A1 | New benzimidazole compounds and derivatives as egfr inhibitors | 20180221 |
US-2020377476-A1 | New benzimidazole compounds and derivatives as egfr inhibitors | 20180221 |
AU-2018359018-A1 | Peptide antibiotics | 20171102 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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