Cas no 71443-31-7 (2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)-)
71443-31-7 structure
Product Name:2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)-
CAS No:71443-31-7
MF:C9H14O3
MW:170.205663204193
CID:531040
PubChem ID:11137555
Update Time:2025-04-19
2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)-
- 2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one
- DTXSID10456519
- 71443-31-7
-
- Inchi： 1S/C9H14O3/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-5,8H,6H2,1-3H3
- InChI Key： UGXXCVHAJRWAJA-UHFFFAOYSA-N
- SMILES： O(C1C=CC(CO1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 170.094294304g/mol
- Monoisotopic Mass: 170.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 200
- 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
- Topological Polar Surface Area: 35.5?2
2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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