Cas no 115514-10-8 (Methyl 3-(4-butoxyphenyl)propanoate)
115514-10-8 structure
Product Name:Methyl 3-(4-butoxyphenyl)propanoate
CAS No:115514-10-8
MF:C14H20O3
MW:236.306804656982
CID:1205429
PubChem ID:14156793
Update Time:2025-04-20
Methyl 3-(4-butoxyphenyl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-(4-butoxyphenyl)propanoate
- CTK0C6394
- AmbkkkkK413
- SureCN7528179
- AG-D-36565
- AGN-PC-000I3Q
- Benzenepropanoic acid, 4-butoxy-, methyl ester
- METHYL 3-(4-BUTOXYPHENYL)PROPIONATE
- ACMC-20mlbq
- methyl 3-(4-butyloxyphenyl)propanoate
- 115514-10-8
- SCHEMBL7528179
- CHEMBL2252078
- DTXSID60556755
-
- Inchi： 1S/C14H20O3/c1-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
- InChI Key： XILPQOSBIMBSMB-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)CCC(=O)OC)CCCC
Computed Properties
- Exact Mass: 236.1413
- Monoisotopic Mass: 236.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 208
- 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: 3.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Methyl 3-(4-butoxyphenyl)propanoate Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
115514-10-8 (Methyl 3-(4-butoxyphenyl)propanoate) Related Products
- 29056-06-2(Methyl (4-butoxyphenyl)acetate)
- 4919-34-0(3-(4-Ethoxyphenyl)propanoic acid)
- 22767-72-2(Ethyl 3-(4-methoxyphenyl)propanoate)
- 28945-89-3(3-(3-Ethoxyphenyl)propanoic acid)
- 15823-04-8(Methyl 3-(4-methoxyphenyl)propanoate)
- 3243-40-1(3-(4-propoxyphenyl)propanoic acid)
- 7116-39-4(Ethyl 3-(3-methoxyphenyl)propanoate)
- 5597-50-2(3-(4-Hydroxyphenyl)propionic Acid Methyl Ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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