Cas no 106485-22-7 (2,4-Pentadienal, 5-(4-methylphenyl)-, (E,E)-)
106485-22-7 structure
Product Name:2,4-Pentadienal, 5-(4-methylphenyl)-, (E,E)-
CAS No:106485-22-7
MF:C12H12O
MW:172.223083496094
CID:1175803
PubChem ID:71334309
Update Time:2025-04-20
2,4-Pentadienal, 5-(4-methylphenyl)-, (E,E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentadienal, 5-(4-methylphenyl)-, (E,E)-
- 5-(4-methylphenyl)penta-2,4-dienal
- SCHEMBL10534012
- 106485-22-7
- DTXSID70762446
-
- Inchi： 1S/C12H12O/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h2-10H,1H3
- InChI Key： SFWHKVBQQVMLEC-UHFFFAOYSA-N
- SMILES： O=CC=CC=CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 172.08886
- Monoisotopic Mass: 172.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,4-Pentadienal, 5-(4-methylphenyl)-, (E,E)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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