Cas no 63766-92-7 (1,2,3,4,5-Hexapentaen-1-one)
1,2,3,4,5-Hexapentaen-1-one structure
Product Name:1,2,3,4,5-Hexapentaen-1-one
CAS No:63766-92-7
MF:C6H2O
MW:90.0794816017151
CID:425792
PubChem ID:23383255
Update Time:2025-04-19
1,2,3,4,5-Hexapentaen-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3,4,5-Hexapentaen-1-one
- hexa-1,2,3,4,5-pentaen-1-one
- Hexapentaen-1-one
- DTXSID40633513
- 63766-92-7
-
- Inchi： 1S/C6H2O/c1-2-3-4-5-6-7/h1H2
- InChI Key： KWIVJZXGXHTKGN-UHFFFAOYSA-N
- SMILES： O=C=C=C=C=C=C
Computed Properties
- Exact Mass: 90.01056
- Monoisotopic Mass: 90.010564683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 209
- 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: -0.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1,2,3,4,5-Hexapentaen-1-one Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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