Cas no 13221-54-0 ((2,2,4,4-~2~H_4_)Cyclobutanone)
13221-54-0 structure
Product Name:(2,2,4,4-~2~H_4_)Cyclobutanone
CAS No:13221-54-0
MF:C4H6O
MW:74.1144881248474
CID:2770412
PubChem ID:71309851
Update Time:2025-04-21
(2,2,4,4-~2~H_4_)Cyclobutanone Chemical and Physical Properties
Names and Identifiers
-
- G88625
- Cyclobutanone-2,2,4,4-d4, 95 atom % D, 97% (CP)
- 13221-54-0
- Cyclobutanone-2,2,4,4-d4Cyclobutanone-2,2,4,4-d4
- (2,2,4,4-~2~H_4_)Cyclobutanone
- Cyclobutanone-2,2,4,4-d4
- 2,2,4,4-tetradeuteriocyclobutanone
- DTXCID90696739
- DTXSID10745995
-
- Inchi： 1S/C4H6O/c5-4-2-1-3-4/h1-3H2/i2D2,3D2
- InChI Key： SHQSVMDWKBRBGB-RRVWJQJTSA-N
- SMILES： O=C1C([2H])([2H])CC1([2H])[2H]
Computed Properties
- Exact Mass: 74.066971794Da
- Monoisotopic Mass: 74.066971794Da
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 5
- Rotatable Bond Count: 0
- Complexity: 50.7
- 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
- Topological Polar Surface Area: 17.1?2
(2,2,4,4-~2~H_4_)Cyclobutanone Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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