Cas no 89326-66-9 (Benzenepropanoic acid, 4-(1-oxobutyl)-, ethyl ester)
89326-66-9 structure
Product Name:Benzenepropanoic acid, 4-(1-oxobutyl)-, ethyl ester
CAS No:89326-66-9
MF:C15H20O3
MW:248.317504882813
CID:604158
PubChem ID:71323607
Update Time:2025-04-19
Benzenepropanoic acid, 4-(1-oxobutyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanoic acid, 4-(1-oxobutyl)-, ethyl ester
- ethyl 3-(4-butanoylphenyl)propanoate
- 89326-66-9
- DTXSID10753176
-
- Inchi： 1S/C15H20O3/c1-3-5-14(16)13-9-6-12(7-10-13)8-11-15(17)18-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3
- InChI Key： AQDCDBPIAFPTHG-UHFFFAOYSA-N
- SMILES： O(CC)C(CCC1C=CC(=CC=1)C(CCC)=O)=O
Computed Properties
- Exact Mass: 248.14124450g/mol
- Monoisotopic Mass: 248.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 265
- 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
- XLogP3: 2.9
- Topological Polar Surface Area: 43.4?2
Benzenepropanoic acid, 4-(1-oxobutyl)-, ethyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
89326-66-9 (Benzenepropanoic acid, 4-(1-oxobutyl)-, ethyl ester) Related Products
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- 1501-04-8(Methyl 5-Oxo-5-phenylpentanoate)
- 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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