Cas no 4547-58-4 (ethyl (4-butoxyphenyl)acetate)
ethyl (4-butoxyphenyl)acetate structure
Product Name:ethyl (4-butoxyphenyl)acetate
ethyl (4-butoxyphenyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- ethyl (4-butoxyphenyl)acetate
- ethyl 2-(4-butoxyphenyl)acetate
- 4547-58-4
- SCHEMBL7484161
- ethyl(4-butoxyphenyl)acetate
- Ethyl 4-butoxyphenylacetate
- DTXSID60196519
- EINECS 224-905-7
- ethyl 2-(4-n-butoxyphenyl)acetate
- NS00031535
- DB-129910
-
- Inchi: 1S/C14H20O3/c1-3-5-10-17-13-8-6-12(7-9-13)11-14(15)16-4-2/h6-9H,3-5,10-11H2,1-2H3
- InChI Key: PUIBRHJUTVHVPI-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)CC(=O)OCC)CCCC
Computed Properties
- Exact Mass: 236.1413
- Monoisotopic Mass: 236.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 208
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
ethyl (4-butoxyphenyl)acetate Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
4547-58-4 (ethyl (4-butoxyphenyl)acetate) Related Products
- 29056-06-2(Methyl (4-butoxyphenyl)acetate)
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- 14062-18-1(Ethyl (4-Methoxyphenyl)acetate)
- 4547-57-3((4-n-Butoxyphenyl)acetic acid)
- 35553-92-5(Ethyl 3-methoxyphenylacetate)
- 14062-26-1(Ethyl 2-(4-phenoxyphenyl)acetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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