4-Methylphenyl benzoate - CAS 614-34-6
Catalog: |
BB031107 |
Product Name: |
4-Methylphenyl benzoate |
CAS: |
614-34-6 |
Synonyms: |
(4-methylphenyl) benzoate |
IUPAC Name: | (4-methylphenyl) benzoate |
Description: | 4-Methylphenyl benzoate (CAS# 614-34-6 ) is a useful research chemical. |
Molecular Weight: | 212.24 |
Molecular Formula: | C14H12O2 |
Canonical SMILES: | CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3 |
InChI Key: | LLRZUDIHEZXFGV-UHFFFAOYSA-N |
Boiling Point: | 316.6 °C at 760 mmHg |
Melting Point: | 70-72°C(lit.) |
Flash Point: | 130.1°C |
Density: | 1.122 g/cm3 |
Solubility: | water, 32.35 mg/L @ 25 °C (est) |
Appearance: | White solid (est) |
MDL: | MFCD00025982 |
LogP: | 3.21420 |
Refractive Index: | 1.577 |
Publication Number | Title | Priority Date |
WO-2021174475-A1 | Organic compounds | 20200305 |
WO-2021175971-A1 | Heterocyclic derivatives as trmp8 antagonists | 20200305 |
CN-110771605-A | Inhibitor for tobacco fusarium root rot | 20191129 |
US-2020330948-A1 | Capsules | 20190417 |
US-2020330949-A1 | Capsules | 20190417 |
PMID | Publication Date | Title | Journal |
21578236 | 20091003 | Phenyl 4-methyl-benzoate | Acta crystallographica. Section E, Structure reports online |
21202912 | 20080619 | 2,4-Dimethyl-phenyl benzoate | Acta crystallographica. Section E, Structure reports online |
21202158 | 20080329 | 4-Bromo-phenyl benzoate | Acta crystallographica. Section E, Structure reports online |
21200965 | 20071206 | 4-Methyl-phenyl 4-chloro-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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