Cas no 35692-95-6 (2,4,4-trimethyl-3-formyl-6-hydroxy-2,5-cyclohexadien-1-one)
35692-95-6 structure
Product Name:2,4,4-trimethyl-3-formyl-6-hydroxy-2,5-cyclohexadien-1-one
CAS No:35692-95-6
MF:C10H12O3
MW:180.200483322144
CID:2074369
PubChem ID:15715950
Update Time:2025-04-21
2,4,4-trimethyl-3-formyl-6-hydroxy-2,5-cyclohexadien-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2,4,4-trimethyl-3-formyl-6-hydroxy-2,5-cyclohexadien-1-one
- 3-formyl-6-hydroxy-2,4,4-trimethyl-2,5-cyclohexadien-1-one
- 4-hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-dienecarbaldehyde
- 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carboxaldehyde
- 4-hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carbaldehyde
- DTXSID701163088
- 1,4-Cyclohexadiene-1-carboxaldehyde, 4-hydroxy-2,6,6-trimethyl-3-oxo-
- 35692-95-6
- COUDKMJLVVETJL-UHFFFAOYSA-N
- 4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde
- CHEBI:169848
-
- Inchi： 1S/C10H12O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h4-5,12H,1-3H3
- InChI Key： COUDKMJLVVETJL-UHFFFAOYSA-N
- SMILES： OC1C(C(C)=C(C=O)C(C)(C)C=1)=O
Computed Properties
- Exact Mass: 180.078644241g/mol
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 332
- 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: 1.4
- Topological Polar Surface Area: 54.4?2
2,4,4-trimethyl-3-formyl-6-hydroxy-2,5-cyclohexadien-1-one Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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4. 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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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