Cas no 89414-47-1 (Benzenepentanoic acid, 2-propenyl ester)
89414-47-1 structure
Product Name:Benzenepentanoic acid, 2-propenyl ester
CAS No:89414-47-1
MF:C14H18O2
MW:218.291524410248
CID:601590
PubChem ID:57446128
Update Time:2025-04-19
Benzenepentanoic acid, 2-propenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanoic acid, 2-propenyl ester
- prop-2-enyl 5-phenylpentanoate
- DTXSID50726526
- 89414-47-1
- PROP-2-EN-1-YL 5-PHENYLPENTANOATE
-
- Inchi： 1S/C14H18O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2-5,8-9H,1,6-7,10-12H2
- InChI Key： ZYKQVOWVMCIWNO-UHFFFAOYSA-N
- SMILES： O(CC=C)C(CCCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 218.130679813g/mol
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 205
- 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: 3.7
- Topological Polar Surface Area: 26.3?2
Benzenepentanoic acid, 2-propenyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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