Cas no 89154-45-0 (6-Octene-2,5-dione, (E)-)
6-Octene-2,5-dione, (E)- structure
Product Name:6-Octene-2,5-dione, (E)-
CAS No:89154-45-0
MF:C8H12O2
MW:140.179682731628
CID:610264
PubChem ID:57055862
Update Time:2025-04-19
6-Octene-2,5-dione, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 6-Octene-2,5-dione, (E)-
- oct-6-ene-2,5-dione
- 89154-45-0
- DTXSID20720172
-
- Inchi： 1S/C8H12O2/c1-3-4-8(10)6-5-7(2)9/h3-4H,5-6H2,1-2H3
- InChI Key： NAQNZVMAAMBMOV-UHFFFAOYSA-N
- SMILES： O=C(C)CCC(C=CC)=O
Computed Properties
- Exact Mass: 140.083729621g/mol
- Monoisotopic Mass: 140.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 157
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.4
- Topological Polar Surface Area: 34.1?2
6-Octene-2,5-dione, (E)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Jason Wan Lab Chip, 2020,20, 4528-4538
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