4-(5-Cyano-2-furyl)benzoic acid - CAS 53782-68-6
Catalog: |
BB049253 |
Product Name: |
4-(5-Cyano-2-furyl)benzoic acid |
CAS: |
53782-68-6 |
Synonyms: |
4-(5-cyanofuran-2-yl)benzoicacid |
IUPAC Name: | 4-(5-cyanofuran-2-yl)benzoic acid |
Description: | 4-(5-Cyano-2-furyl)benzoic acid (CAS# 53782-68-6 ) is a useful research chemical. |
Molecular Weight: | 213.19 |
Molecular Formula: | C12H7NO3 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=C(O2)C#N)C(=O)O |
InChI: | InChI=1S/C12H7NO3/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-6H,(H,14,15) |
InChI Key: | XJVGHHWEBYFZEX-UHFFFAOYSA-N |
Boiling Point: | 407 °C at 760 mmHg |
Density: | 1.246 g/cm3 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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