4-Hydroxy-1-indanone benzoate - CAS 59725-61-0
Catalog: |
BB030471 |
Product Name: |
4-Hydroxy-1-indanone benzoate |
CAS: |
59725-61-0 |
Synonyms: |
(1-oxo-2,3-dihydroinden-4-yl) benzoate |
IUPAC Name: | (1-oxo-2,3-dihydroinden-4-yl) benzoate |
Description: | 4-Hydroxy-1-indanone benzoate (CAS# 59725-61-0 ) is a useful research chemical. |
Molecular Weight: | 252.26 |
Molecular Formula: | C16H12O3 |
Canonical SMILES: | C1CC(=O)C2=C1C(=CC=C2)OC(=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C16H12O3/c17-14-10-9-13-12(14)7-4-8-15(13)19-16(18)11-5-2-1-3-6-11/h1-8H,9-10H2 |
InChI Key: | VZMQQMAQHFBMGN-UHFFFAOYSA-N |
Boiling Point: | 469.6 ℃ at 760 mmHg |
Density: | 1.271 g/cm3 |
MDL: | MFCD00052860 |
LogP: | 3.03470 |
Publication Number | Title | Priority Date |
EP-2427436-B1 | Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands | 20090507 |
US-2011003795-A1 | Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands | 20090507 |
US-8334315-B2 | Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands | 20090507 |
WO-2010127855-A1 | Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands | 20090507 |
US-2008255239-A1 | Substituted fluoroethyl ureas as alpha 2 adrenergic agents | 20070412 |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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