Cas no 1490-38-6 (4,9-Dodecanedione)
4,9-Dodecanedione structure
Product Name:4,9-Dodecanedione
CAS No:1490-38-6
MF:C12H22O2
MW:198.301884174347
CID:1320753
PubChem ID:551335
Update Time:2025-04-20
4,9-Dodecanedione Chemical and Physical Properties
Names and Identifiers
-
- 4,9-Dodecanedione
- dodecane-4,9-dione
- ATYOIKSGVNLFRA-UHFFFAOYSA-N
- 1490-38-6
- SCHEMBL5194043
- DTXSID10338826
-
- Inchi： 1S/C12H22O2/c1-3-7-11(13)9-5-6-10-12(14)8-4-2/h3-10H2,1-2H3
- InChI Key： ATYOIKSGVNLFRA-UHFFFAOYSA-N
- SMILES： O=C(CCC)CCCCC(CCC)=O
Computed Properties
- Exact Mass: 198.16206
- 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: 153
- 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: 1.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
4,9-Dodecanedione Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
1490-38-6 (4,9-Dodecanedione) Related Products
- 502-49-8(Cyclooctanone)
- 502-72-7(Cyclopentadecanone)
- 112-12-9(2-Undecanone)
- 120-92-3(Cyclopentanone)
- 593-08-8(2-Tridecanone)
- 111-13-7(2-Octanone)
- 110-13-4(hexane-2,5-dione)
- 502-56-7(5-Nonanone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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