Cas no 70950-06-0 (Benzenebutanoic acid, 3-phenylpropyl ester)
70950-06-0 structure
Product Name:Benzenebutanoic acid, 3-phenylpropyl ester
CAS No:70950-06-0
MF:C19H22O2
MW:282.376785755157
CID:546362
PubChem ID:12564053
Update Time:2025-04-19
Benzenebutanoic acid, 3-phenylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, 3-phenylpropyl ester
- 3-phenylpropyl 4-phenylbutanoate
- 4-phenyl-butyric acid 3-phenyl-propyl ester
- DTXSID90502705
- 70950-06-0
-
- Inchi： 1S/C19H22O2/c20-19(15-7-13-17-9-3-1-4-10-17)21-16-8-14-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
- InChI Key： ADEYWCNXBOHJRO-UHFFFAOYSA-N
- SMILES： O(C(CCCC1C=CC=CC=1)=O)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 282.16206
- Monoisotopic Mass: 282.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 9
- Complexity: 275
- 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: 4.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzenebutanoic acid, 3-phenylpropyl ester Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
70950-06-0 (Benzenebutanoic acid, 3-phenylpropyl ester) Related Products
- 10031-93-3(Benzenebutanoic Acid Ethyl Ester)
- 101689-18-3(Methyl 7-phenylheptanoate)
- 2021-28-5(Ethyl 3-phenylpropionate)
- 20620-59-1(Methyl 5-Phenylpentanoate)
- 103-52-6(Phenethyl butyrate)
- 17071-29-3(ethyl 3-oxo-5-phenylpentanoate)
- 2046-17-5(Methyl 4-Phenylbutyrate)
- 103-25-3(Methyl 3-Phenylpropionate(3-Phenylpropionic Acid Methyl Ester))
- 104750-61-0(Ethyl 3-(o-tolyl)propanoate)
- 2983-36-0(Benzenepropanoic acid, a-ethyl-, ethyl ester)
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