Cas no 937-21-3 (Benzenecarboperoxoic acid, 4-methyl-)
937-21-3 structure
Product Name:Benzenecarboperoxoic acid, 4-methyl-
Benzenecarboperoxoic acid, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarboperoxoic acid, 4-methyl-
- 4-methylbenzenecarboperoxoic acid
- 937-21-3
- DTXSID90563831
- SCHEMBL268305
- 4-Methylbenzene-1-carboperoxoic acid
-
- Inchi： 1S/C8H8O3/c1-6-2-4-7(5-3-6)8(9)11-10/h2-5,10H,1H3
- InChI Key： IFDPVSBDNAQBRQ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C)=CC=1)=O)O
Computed Properties
- Exact Mass: 152.047344113g/mol
- Monoisotopic Mass: 152.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 136
- 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
- XLogP3: 2.2
- Topological Polar Surface Area: 46.5?2
Benzenecarboperoxoic acid, 4-methyl- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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