Cas no 87163-30-2 (5,6-Dodecanedione)
5,6-Dodecanedione structure
Product Name:5,6-Dodecanedione
CAS No:87163-30-2
MF:C12H22O2
MW:198.301884174347
CID:659072
PubChem ID:13028096
Update Time:2025-04-19
5,6-Dodecanedione Chemical and Physical Properties
Names and Identifiers
-
- 5,6-Dodecanedione
- dodecane-5,6-dione
- 87163-30-2
- DTXSID70515631
- SCHEMBL10338729
- SCHEMBL10338728
-
- Inchi： 1S/C12H22O2/c1-3-5-7-8-10-12(14)11(13)9-6-4-2/h3-10H2,1-2H3
- InChI Key： SGLNBRYDVKNFCZ-UHFFFAOYSA-N
- SMILES： O=C(C(CCCC)=O)CCCCCC
Computed Properties
- Exact Mass: 198.161979940g/mol
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 173
- 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: 3.4
- Topological Polar Surface Area: 34.1?2
5,6-Dodecanedione Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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