Cas no 80706-70-3 (Cyclobutanone, 2-acetyl-2-methyl-)
80706-70-3 structure
Product Name:Cyclobutanone, 2-acetyl-2-methyl-
CAS No:80706-70-3
MF:C7H10O2
MW:126.153102397919
CID:705174
PubChem ID:12739836
Update Time:2025-04-19
Cyclobutanone, 2-acetyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclobutanone, 2-acetyl-2-methyl-
- 2-acetyl-2-methylcyclobutan-1-one
- DTXSID90508606
- 80706-70-3
-
- Inchi： 1S/C7H10O2/c1-5(8)7(2)4-3-6(7)9/h3-4H2,1-2H3
- InChI Key： HMMLGGGYELYXST-UHFFFAOYSA-N
- SMILES： O=C1CCC1(C(C)=O)C
Computed Properties
- Exact Mass: 126.068079557g/mol
- Monoisotopic Mass: 126.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 172
- 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: 0.4
- Topological Polar Surface Area: 34.1?2
Cyclobutanone, 2-acetyl-2-methyl- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
80706-70-3 (Cyclobutanone, 2-acetyl-2-methyl-) Related Products
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