Cas no 56522-82-8 (2,6-Heptadienal, 3,6-dimethyl-)
56522-82-8 structure
Product Name:2,6-Heptadienal, 3,6-dimethyl-
CAS No:56522-82-8
MF:C9H14O
MW:138.206862926483
CID:348616
PubChem ID:54021767
Update Time:2025-04-19
2,6-Heptadienal, 3,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Heptadienal, 3,6-dimethyl-
- 3,6-dimethylhepta-2,6-dienal
- DTXSID60708454
- 56522-82-8
-
- Inchi： 1S/C9H14O/c1-8(2)4-5-9(3)6-7-10/h6-7H,1,4-5H2,2-3H3
- InChI Key： KZKMQXXAIXEAFR-UHFFFAOYSA-N
- SMILES： O=CC=C(C)CCC(=C)C
Computed Properties
- Exact Mass: 138.10452
- Monoisotopic Mass: 138.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 154
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 2.8
Experimental Properties
- PSA: 17.07
2,6-Heptadienal, 3,6-dimethyl- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
56522-82-8 (2,6-Heptadienal, 3,6-dimethyl-) Related Products
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