Cas no 7523-31-1 (Hydroperoxide,(4-methylphenyl)methyl)
7523-31-1 structure
Product Name:Hydroperoxide,(4-methylphenyl)methyl
Hydroperoxide,(4-methylphenyl)methyl Chemical and Physical Properties
Names and Identifiers
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- Hydroperoxide,(4-methylphenyl)methyl
- 1-(hydroperoxymethyl)-4-methylbenzene
- 4-methylbenzyl hydroperoxide
- p-Methylbenzyl hydroperoxide
- SCHEMBL608532
- DTXSID90226217
- Hydroperoxide, (4-methylphenyl)methyl
- 7523-31-1
-
- Inchi： 1S/C8H10O2/c1-7-2-4-8(5-3-7)6-10-9/h2-5,9H,6H2,1H3
- InChI Key： VCEHMDXCOGIOJJ-UHFFFAOYSA-N
- SMILES： O(CC1C=CC(C)=CC=1)O
Computed Properties
- Exact Mass: 138.0681
- Monoisotopic Mass: 138.06808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 85.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5
- XLogP3: 1.4
Experimental Properties
- Density: 1.097
- Boiling Point: 270.4°C at 760 mmHg
- Flash Point: 117.3°C
- Refractive Index: 1.536
- PSA: 29.46
Hydroperoxide,(4-methylphenyl)methyl Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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