Cas no 23438-23-5 (2,5-Cyclohexadien-1-one,4-hydroxy-4-methyl-)
23438-23-5 structure
Product Name:2,5-Cyclohexadien-1-one,4-hydroxy-4-methyl-
2,5-Cyclohexadien-1-one,4-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one,4-hydroxy-4-methyl-
- 4-hydroxy-4-methylcyclohexa-2,5-dien-1-one
- 2, 4-hydroxy-4-methyl-
- 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one
- 4-hydroxy-4-methyl-2,5-cyclohexadienone
- 4-hydroxy-4-methyl-2,5-cyclohexanedienone
- 4-hydroxy-4-methylcyclohexa-2
- 4-hydroxy-4-methylcyclohexa-2,5-dienone
- 4-Hydroxy-4-methyl-cyclohexa-2,5-dienone
- AC1L2OOY
- AC1Q6ABY
- AR-1G2728
- MUBYTRYBVWQAKF-UHFFFAOYSA-
- NCIMech_000724
- NSC295156
- 4-HYDROXY4-METHYLCYCLOHEXA-2,5-DIEN-1-ONE
- 2,5-Cyclohexadien-1-one, 4-hydroxy-4-methyl-
- PD011922
- DTXSID50177993
- NCI60_002459
- CCG-35871
- InChI=1/C7H8O2/c1-7(9)4-2-6(8)3-5-7/h2-5,9H,1H3
- NSC-295156
- UNII-VPY14AV9DE
- NSC 295156
- 23438-23-5
- 4-hydroxy-4-methyl-cyclohexa-2,5-dien-1-one
- VPY14AV9DE
- CHEMBL1982488
-
- Inchi： 1S/C7H8O2/c1-7(9)4-2-6(8)3-5-7/h2-5,9H,1H3
- InChI Key： MUBYTRYBVWQAKF-UHFFFAOYSA-N
- SMILES： OC1(C)C=CC(C=C1)=O
Computed Properties
- Exact Mass: 124.05244
- Monoisotopic Mass: 124.05243
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 173
- 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: 37.3
- XLogP3: 0.2
Experimental Properties
- Density: 1.182
- Boiling Point: 257°C at 760 mmHg
- Flash Point: 106.3°C
- Refractive Index: 1.545
- PSA: 37.3
- LogP: 0.43250
2,5-Cyclohexadien-1-one,4-hydroxy-4-methyl- Related Literature
-
Yang Gui,Xinping Liang,Yanan Li,Kuiliang Li,Zhenggen Zha,Zhiyong Wang Org. Chem. Front. 2019 6 942
-
Nicholas G. Moon,Andrew M. Harned Org. Biomol. Chem. 2017 15 1876
-
Gang Cao,Hao Cai,Xiaodong Cong,Xiao Liu,Xiaoqing Ma,Yajing Lou,Kunming Qin,Baochang Cai Analyst 2012 137 3828
-
Leo L. P. van Stee,Pim E. G. Leonards,René J. J. Vreuls,Udo A. Th. Brinkman Analyst 1999 124 1547
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