Cas no 54699-14-8 (3,3-dimethyl(1,1,1-~2~H_3_)butan-2-one)
54699-14-8 structure
Product Name:3,3-dimethyl(1,1,1-~2~H_3_)butan-2-one
CAS No:54699-14-8
MF:C6H12O
MW:103.177367210388
CID:1590466
PubChem ID:143190
Update Time:2025-04-21
3,3-dimethyl(1,1,1-~2~H_3_)butan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 3,3-dimethyl(1,1,1-~2~H_3_)butan-2-one
- 1,1,1-trideuterio-3,3-dimethylbutan-2-one
- 54699-14-8
- 2-Butanone-1,1,1-d3, 3,3-dimethyl-
- DTXSID00203150
-
- Inchi： 1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3/i1D3
- InChI Key： PJGSXYOJTGTZAV-FIBGUPNXSA-N
- SMILES： O=C(C([2H])([2H])[2H])C(C)(C)C
Computed Properties
- Exact Mass: 103.107645240g/mol
- Monoisotopic Mass: 103.107645240g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 76.7
- 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: 1.2
- Topological Polar Surface Area: 17.1?2
3,3-dimethyl(1,1,1-~2~H_3_)butan-2-one Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
54699-14-8 (3,3-dimethyl(1,1,1-~2~H_3_)butan-2-one) Related Products
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