Cas no 100365-71-7 (Butenal, 2-methyl-)
Butenal, 2-methyl- structure
Product Name:Butenal, 2-methyl-
Butenal, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Butenal, 2-methyl-
- SB85396
- Crotonaldehyde, 2-methyl-
- 2-methyl-but-2-enal
- DTXSID00859414
- 100365-71-7
- trans-2-Methylcrotonaldehyde
- (e)-2-methyl-2-butenal
- Butenal, 2-methyl- (9CI)
- 2-METHYL-2-BUTENAL
- DB-051666
- 2-methylbut-2-enal
-
- Inchi： 1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3
- InChI Key： ACWQBUSCFPJUPN-UHFFFAOYSA-N
- SMILES： O=CC(C)=CC
Computed Properties
- Exact Mass: 84.05754
- Monoisotopic Mass: 84.057514874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 72
- 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: 0.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Butenal, 2-methyl- Related Literature
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
100365-71-7 (Butenal, 2-methyl-) Related Products
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