Cas no 526203-76-9 (2(5H)-Furanone, 5-(1,1-dimethylethyl)-4-hydroxy-)
526203-76-9 structure
Product Name:2(5H)-Furanone, 5-(1,1-dimethylethyl)-4-hydroxy-
CAS No:526203-76-9
MF:C8H12O3
MW:156.179082870483
CID:359224
PubChem ID:54711853
Update Time:2025-04-19
2(5H)-Furanone, 5-(1,1-dimethylethyl)-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2(5H)-Furanone, 5-(1,1-dimethylethyl)-4-hydroxy-
- 2-tert-butyl-3-hydroxy-2H-furan-5-one
- 5-tert-Butyl-4-hydroxyfuran-2(5H)-one
- DTXSID50716164
- 526203-76-9
-
- Inchi： 1S/C8H12O3/c1-8(2,3)7-5(9)4-6(10)11-7/h4,7,9H,1-3H3
- InChI Key： FWHBXJOTAXBEQA-UHFFFAOYSA-N
- SMILES： O1C(C=C(C1C(C)(C)C)O)=O
Computed Properties
- Exact Mass: 156.07866
- Monoisotopic Mass: 156.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2(5H)-Furanone, 5-(1,1-dimethylethyl)-4-hydroxy- Related Literature
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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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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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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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