Cas no 79942-37-3 (Benzenepropanoic acid,4-(1-methylethyl)-, ethyl ester)
79942-37-3 structure
Product Name:Benzenepropanoic acid,4-(1-methylethyl)-, ethyl ester
CAS No:79942-37-3
MF:C14H20O2
MW:220.307404518127
CID:556965
PubChem ID:12014820
Update Time:2025-04-19
Benzenepropanoic acid,4-(1-methylethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,4-(1-methylethyl)-, ethyl ester
- 3-(4-ISOPROPYL-PHENYL)-PROPIONIC ACID ETHYL ESTER
- 3-(4-ISOPROPYL-PHENYL)-PROPANOIC ACID ETHYL ESTER
- AG-H-20362
- AGN-PC-00JPLH
- CTK5E7266
- ethyl 3-(4'-isopropylphenyl)propionate
- SureCN879019
- AKOS010484033
- DTXSID80475838
- 79942-37-3
- SCHEMBL879019
-
- Inchi： 1S/C14H20O2/c1-4-16-14(15)10-7-12-5-8-13(9-6-12)11(2)3/h5-6,8-9,11H,4,7,10H2,1-3H3
- InChI Key： ZTHNFRDYDYKVEY-UHFFFAOYSA-N
- SMILES： O(CC)C(CCC1C=CC(=CC=1)C(C)C)=O
Computed Properties
- Exact Mass: 220.146329876g/mol
- Monoisotopic Mass: 220.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 203
- 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: 3.9
- Topological Polar Surface Area: 26.3?2
Benzenepropanoic acid,4-(1-methylethyl)-, ethyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
79942-37-3 (Benzenepropanoic acid,4-(1-methylethyl)-, ethyl ester) Related Products
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