AN-8323
Catalog: |
BB074395 |
Product Name: |
AN-8323 |
Synonyms: |
5-(4-Cyanophenoxy)-2-hydroxybenzoic acid; 5-(4-CYANOPHENOXY)-2-HYDROXYL BENZOIC ACID |
IUPAC Name: | 5-(4-cyanophenoxy)-2-hydroxybenzoic acid |
Molecular Weight: | 269.25 |
Molecular Formula: | C15H11NO4 |
Canonical SMILES: | C1=CC(=CC=C1C#N)OC2=CC(=C(C=C2)O)C(=O)O |
InChI: | InChI=1S/C14H9NO4/c15-8-9-1-3-10(4-2-9)19-11-5-6-13(16)12(7-11)14(17)18/h1-7,16H,(H,17,18) |
InChI Key: | BSMXLRCGIICTHS-UHFFFAOYSA-N |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 90.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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