Cas no 28750-52-9 (Lanierone)
Lanierone structure
Product Name:Lanierone
CAS No:28750-52-9
MF:C9H12O2
MW:152.190382957458
CID:273810
PubChem ID:642486
Update Time:2025-04-19
Lanierone Chemical and Physical Properties
Names and Identifiers
-
- Lanierone
- 2-Hydroxy-4,4,6-trimethyl-2,5-cyclohexadienone
- 2-Hydroxy-4,4,6-trimethylcyclohexa-2,5-dien-1-one
- 4,4,6-Trimethyl-2-hydroxycyclohexa-2,5-diene-1-one
- 2,5-Cyclohexadien-1-one, 2-hydroxy-4,4,6-trimethyl-
- SCHEMBL1301789
- DTXSID201031959
- 2-hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one
- GKOBUKITZSFCJC-UHFFFAOYSA-N
- 28750-52-9
- 2-Hydroxy-4,4,6-trimethylcyclohexa-2,5-dienone
- Q19597672
- InChI=1/C9H12O2/c1-6-4-9(2,3)5-7(10)8(6)11/h4-5,10H,1-3H
-
- Inchi： 1S/C9H12O2/c1-6-4-9(2,3)5-7(10)8(6)11/h4-5,10H,1-3H3
- InChI Key： GKOBUKITZSFCJC-UHFFFAOYSA-N
- SMILES： OC1C(C(C)=CC(C)(C)C=1)=O
Computed Properties
- Exact Mass: 152.08376
- Monoisotopic Mass: 152.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 257
- 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: 37.3?2
Experimental Properties
- PSA: 37.3
Lanierone Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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