3-(Benzoyloxy)-2-hydroxybenzoic Acid - CAS 107189-08-2
Catalog: |
BB073399 |
Product Name: |
3-(Benzoyloxy)-2-hydroxybenzoic Acid |
CAS: |
107189-08-2 |
Synonyms: |
3-(Benzoyloxy)-2-hydroxybenzoic acid; 3-(Benzoyloxy)-2-hydroxybenzoicacid |
IUPAC Name: | 3-benzoyloxy-2-hydroxybenzoic acid |
Molecular Weight: | 258.23 |
Molecular Formula: | C14H10O5 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2O)C(=O)O |
InChI: | InChI=1S/C14H10O5/c15-12-10(13(16)17)7-4-8-11(12)19-14(18)9-5-2-1-3-6-9/h1-8,15H,(H,16,17) |
InChI Key: | JFIZCLLGNOIHKI-UHFFFAOYSA-N |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.05282342 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 83.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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