Cas no 232949-65-4 (Benzenepropanoic acid, pentyl ester)
232949-65-4 structure
Product Name:Benzenepropanoic acid, pentyl ester
CAS No:232949-65-4
MF:C14H20O2
MW:220.307404518127
CID:1413705
PubChem ID:520040
Update Time:2025-04-20
Benzenepropanoic acid, pentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, pentyl ester
- pentyl 3-phenylpropanoate
- ZCOWYOGEJLZCOM-UHFFFAOYSA-N
- pentyl 3-phenylpropionate
- Pentyl 3-phenylpropanoate #
- SCHEMBL19920977
- DTXSID00334231
- 3-phenyl-propanoic acid pentyl ester
- 232949-65-4
- n-Pentyl 3-phenylpropanoate
- Q65224712
-
- Inchi： 1S/C14H20O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
- InChI Key： ZCOWYOGEJLZCOM-UHFFFAOYSA-N
- SMILES： O(C(CCC1C=CC=CC=1)=O)CCCCC
Computed Properties
- Exact Mass: 220.1464
- 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: 8
- Complexity: 183
- 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: 4.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzenepropanoic acid, pentyl ester Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
232949-65-4 (Benzenepropanoic acid, pentyl 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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