Cas no 120756-20-9 (4-Heptenoic acid, 7-phenyl-, ethyl ester, (4E)-)
120756-20-9 structure
Product Name:4-Heptenoic acid, 7-phenyl-, ethyl ester, (4E)-
CAS No:120756-20-9
MF:C15H20O2
MW:232.318104743958
CID:1211392
PubChem ID:54290783
Update Time:2025-04-20
4-Heptenoic acid, 7-phenyl-, ethyl ester, (4E)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Heptenoic acid, 7-phenyl-, ethyl ester, (4E)-
- ethyl 7-phenylhept-4-enoate
- DTXSID40710358
- 120756-20-9
-
- Inchi： 1S/C15H20O2/c1-2-17-15(16)13-9-4-3-6-10-14-11-7-5-8-12-14/h3-5,7-8,11-12H,2,6,9-10,13H2,1H3
- InChI Key： RXIWIHODLZPRNA-UHFFFAOYSA-N
- SMILES： O(CC)C(CCC=CCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 232.146329876g/mol
- Monoisotopic Mass: 232.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4
- Topological Polar Surface Area: 26.3?2
4-Heptenoic acid, 7-phenyl-, ethyl ester, (4E)- Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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