Cas no 88996-98-9 (2H-Oxet-2-one, 4-methyl-)
2H-Oxet-2-one, 4-methyl- structure
Product Name:2H-Oxet-2-one, 4-methyl-
CAS No:88996-98-9
MF:C4H4O2
MW:84.0733613967896
CID:616730
PubChem ID:12199890
Update Time:2025-04-19
2H-Oxet-2-one, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Oxet-2-one, 4-methyl-
- 4-methyloxet-2-one
- DTXSID80480144
- 88996-98-9
-
- Inchi： 1S/C4H4O2/c1-3-2-4(5)6-3/h2H,1H3
- InChI Key： HDGGSULDULCOII-UHFFFAOYSA-N
- SMILES： O1C(C=C1C)=O
Computed Properties
- Exact Mass: 84.021129366g/mol
- Monoisotopic Mass: 84.021129366g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 113
- 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: 0.4
- Topological Polar Surface Area: 26.3?2
2H-Oxet-2-one, 4-methyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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