Cas no 88465-92-3 (2-Propenoic acid, 3-phenylbutyl ester)
88465-92-3 structure
Product Name:2-Propenoic acid, 3-phenylbutyl ester
CAS No:88465-92-3
MF:C13H16O2
MW:204.264944076538
CID:631692
PubChem ID:23082429
Update Time:2025-04-19
2-Propenoic acid, 3-phenylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-phenylbutyl ester
- 3-phenylbutyl prop-2-enoate
- SCHEMBL5070208
- 88465-92-3
- DTXSID30630399
-
- Inchi： 1S/C13H16O2/c1-3-13(14)15-10-9-11(2)12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3
- InChI Key： RZHYZKCBGLQLKY-UHFFFAOYSA-N
- SMILES： O(C(C=C)=O)CCC(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 204.115029749g/mol
- Monoisotopic Mass: 204.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 26.3?2
2-Propenoic acid, 3-phenylbutyl ester Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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