Cas no 214341-93-2 (2,4-Hexadienoic acid, 6-[(4-methoxyphenyl)methoxy]-, ethyl ester)
![2,4-Hexadienoic acid, 6-[(4-methoxyphenyl)methoxy]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/214500/214341-93-2x500.png)
214341-93-2 structure
Product Name:2,4-Hexadienoic acid, 6-[(4-methoxyphenyl)methoxy]-, ethyl ester
CAS No:214341-93-2
MF:C16H20O4
MW:276.327605247498
CID:1404892
PubChem ID:71358272
Update Time:2025-04-20
2,4-Hexadienoic acid, 6-[(4-methoxyphenyl)methoxy]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadienoic acid, 6-[(4-methoxyphenyl)methoxy]-, ethyl ester
- ethyl 6-[(4-methoxyphenyl)methoxy]hexa-2,4-dienoate
- DTXSID50782288
- 214341-93-2
-
- Inchi： 1S/C16H20O4/c1-3-20-16(17)7-5-4-6-12-19-13-14-8-10-15(18-2)11-9-14/h4-11H,3,12-13H2,1-2H3
- InChI Key： PBPOCWXJMGJVEJ-UHFFFAOYSA-N
- SMILES： O(CC=CC=CC(=O)OCC)CC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 276.1362
- Monoisotopic Mass: 276.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 314
- 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: 2.7
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
2,4-Hexadienoic acid, 6-[(4-methoxyphenyl)methoxy]-, ethyl ester Related Literature
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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