Cas no 103986-66-9 (2-Pentenoic acid,4-phenyl-)
2-Pentenoic acid,4-phenyl- structure
Product Name:2-Pentenoic acid,4-phenyl-
CAS No:103986-66-9
MF:C11H12O2
MW:176.211783409119
CID:125975
PubChem ID:53421017
Update Time:2025-04-18
2-Pentenoic acid,4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentenoic acid,4-phenyl-
- (E)-4-PHENYL-PENT-2-ENOIC ACID
- 4-phenylpent-2-enoic acid
- (2E)-4-Phenylpent-2-enoic acid
- 2-pentenoic acid, 4-phenyl-, (2E)-
- 103986-66-9
- SCHEMBL2347397
- DTXSID20697714
-
- Inchi： 1S/C11H12O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-9H,1H3,(H,12,13)
- InChI Key： IEEWSHYKEAWEMY-UHFFFAOYSA-N
- SMILES： OC(C=CC(C)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 176.084
- Monoisotopic Mass: 176.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 2.5
Experimental Properties
- Density: 1.096
- Boiling Point: 326.1°C at 760 mmHg
- Flash Point: 230.1°C
- Refractive Index: 1.551
- PSA: 37.30000
- LogP: 2.43090
2-Pentenoic acid,4-phenyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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