Cas no 89578-25-6 (Benzenebutanoic acid, 3-phenyl-2-propenyl ester)
89578-25-6 structure
Product Name:Benzenebutanoic acid, 3-phenyl-2-propenyl ester
CAS No:89578-25-6
MF:C19H20O2
MW:280.360905647278
CID:595801
PubChem ID:71325046
Update Time:2025-04-19
Benzenebutanoic acid, 3-phenyl-2-propenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzenebutanoic acid, 3-phenyl-2-propenyl ester
- 3-phenylprop-2-enyl 4-phenylbutanoate
- 89578-25-6
- DTXSID50754445
- 3-PHENYLPROP-2-EN-1-YL 4-PHENYLBUTANOATE
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- Inchi： 1S/C19H20O2/c20-19(15-7-13-17-9-3-1-4-10-17)21-16-8-14-18-11-5-2-6-12-18/h1-6,8-12,14H,7,13,15-16H2
- InChI Key： PZSMYNLAQRVNMO-UHFFFAOYSA-N
- SMILES： O(CC=CC1C=CC=CC=1)C(CCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 280.146329876g/mol
- Monoisotopic Mass: 280.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 310
- 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: 4.5
- Topological Polar Surface Area: 26.3?2
Benzenebutanoic acid, 3-phenyl-2-propenyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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