Cas no 10225-40-8 (2-Sec-butyl-1-phenyl-1,3-butanedione)
10225-40-8 structure
Product Name:2-Sec-butyl-1-phenyl-1,3-butanedione
CAS No:10225-40-8
MF:C14H18O2
MW:218.291524410248
CID:2656521
Update Time:2023-08-06
2-Sec-butyl-1-phenyl-1,3-butanedione Chemical and Physical Properties
Names and Identifiers
-
- 1-Phenyl-2-sec-butyl-1,3-butanedione
- 2-butan-2-yl-1-phenylbutane-1,3-dione
- 2-sec-Butyl-1-phenyl-1,3-butanedione
- 1,3-Butanedione, 2-sec-butyl-1-phenyl-
- KYIVSKWOJCLODL-UHFFFAOYSA-N
- 2-Sec-butyl-1-phenyl-1,3-butanedione #
- 2-Sec-butyl-1-phenyl-1,3-butanedione
-
- Inchi： 1S/C14H18O2/c1-4-10(2)13(11(3)15)14(16)12-8-6-5-7-9-12/h5-10,13H,4H2,1-3H3
- InChI Key： KYIVSKWOJCLODL-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C(C(C)=O)C(C)CC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 252
- Topological Polar Surface Area: 34.1
2-Sec-butyl-1-phenyl-1,3-butanedione Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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