Cas no 7028-39-9 (Decanoic acid, 3,5,7-trioxo-)
Decanoic acid, 3,5,7-trioxo- structure
Product Name:Decanoic acid, 3,5,7-trioxo-
CAS No:7028-39-9
MF:C10H14O5
MW:214.215163707733
CID:547486
PubChem ID:71404986
Update Time:2025-04-19
Decanoic acid, 3,5,7-trioxo- Chemical and Physical Properties
Names and Identifiers
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- Decanoic acid, 3,5,7-trioxo-
- 3,5,7-trioxodecanoic acid
- SCHEMBL22750315
- DTXSID40825794
- 7028-39-9
-
- Inchi： 1S/C10H14O5/c1-2-3-7(11)4-8(12)5-9(13)6-10(14)15/h2-6H2,1H3,(H,14,15)
- InChI Key： YHIPJWOFEPJIGL-UHFFFAOYSA-N
- SMILES： O=C(CC(CC(CC(=O)O)=O)=O)CCC
Computed Properties
- Exact Mass: 214.08412
- Monoisotopic Mass: 214.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 280
- 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: 0.2
- Topological Polar Surface Area: 88.5?2
Experimental Properties
- PSA: 88.51
Decanoic acid, 3,5,7-trioxo- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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