Cas no 57749-82-3 (4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one)
57749-82-3 structure
Product Name:4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one
CAS No:57749-82-3
MF:C7H8O3
MW:140.136622428894
CID:2833093
PubChem ID:13461289
Update Time:2025-04-21
4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one Chemical and Physical Properties
Names and Identifiers
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- DTXCID60492189
- DTXSID40541402
- 4-methyl-4-hydroperoxycyclohexa-2,5-dienone
- 4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one
- 57749-82-3
-
- Inchi： 1S/C7H8O3/c1-7(10-9)4-2-6(8)3-5-7/h2-5,9H,1H3
- InChI Key： DZAPYOAIROMSAL-UHFFFAOYSA-N
- SMILES： O(C1(C)C=CC(C=C1)=O)O
Computed Properties
- Exact Mass: 140.047344113g/mol
- Monoisotopic Mass: 140.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 187
- 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: 0.2
- Topological Polar Surface Area: 46.5?2
4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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