Cas no 136944-10-0 (E-Caffeic acid n-butyl ester)
E-Caffeic acid n-butyl ester structure
Product Name:E-Caffeic acid n-butyl ester
CAS No:136944-10-0
MF:C13H16O4
MW:236.263744354248
CID:901529
Update Time:2026-04-29
E-Caffeic acid n-butyl ester Chemical and Physical Properties
Names and Identifiers
-
- E-Caffeic acid n-butyl ester
- Butyl Caffeate
- caffeic acid butyl ester
- caffeic acid n-butyl ester
- n-butyl caffeate
-
- Inchi： InChI=1S/C13H16O4/c1-2-3-8-17-13(16)7-5-10-4-6-11(14)12(15)9-10/h4-7,9,14-15H,2-3,8H2,1H3/b7-5+
- InChI Key： DBBCBZIFZYILRL-FNORWQNLSA-N
- SMILES： CCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
Computed Properties
- Exact Mass: 236.10500
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
Experimental Properties
- PSA: 66.76000
- LogP: 2.45430
E-Caffeic acid n-butyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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