3-(4-Chlorophenyl)-2-cyanopropionic Acid - CAS 55502-59-5
Catalog: |
BB029063 |
Product Name: |
3-(4-Chlorophenyl)-2-cyanopropionic Acid |
CAS: |
55502-59-5 |
Synonyms: |
3-(4-chlorophenyl)-2-cyanopropanoic acid; 3-(4-chlorophenyl)-2-cyanopropanoic acid |
IUPAC Name: | 3-(4-chlorophenyl)-2-cyanopropanoic acid |
Description: | 3-(4-Chlorophenyl)-2-cyanopropionic Acid (CAS# 55502-59-5 ) is a useful research chemical. |
Molecular Weight: | 209.63 |
Molecular Formula: | C10H8ClNO2 |
Canonical SMILES: | C1=CC(=CC=C1CC(C#N)C(=O)O)Cl |
InChI: | InChI=1S/C10H8ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-4,8H,5H2,(H,13,14) |
InChI Key: | LGWFQRXQEDZFHW-UHFFFAOYSA-N |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0243562 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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