Cas no 544455-38-1 (2-Butenoic acid, 4-(4-methoxyphenoxy)-, ethyl ester, (2E)-)
544455-38-1 structure
Product Name:2-Butenoic acid, 4-(4-methoxyphenoxy)-, ethyl ester, (2E)-
CAS No:544455-38-1
MF:C13H16O4
MW:236.263744354248
CID:354561
PubChem ID:71364668
Update Time:2025-04-19
2-Butenoic acid, 4-(4-methoxyphenoxy)-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 4-(4-methoxyphenoxy)-, ethyl ester, (2E)-
- ethyl 4-(4-methoxyphenoxy)but-2-enoate
- DTXSID30788127
- 544455-38-1
-
- Inchi： 1S/C13H16O4/c1-3-16-13(14)5-4-10-17-12-8-6-11(15-2)7-9-12/h4-9H,3,10H2,1-2H3
- InChI Key： FPYHBTYIASGSRV-UHFFFAOYSA-N
- SMILES： O(CC=CC(=O)OCC)C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 242
- 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: 2.4
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
2-Butenoic acid, 4-(4-methoxyphenoxy)-, ethyl ester, (2E)- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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