Cas no 558437-61-9 (Propanoic acid, 3-(4-methoxyphenoxy)-2,2-dimethyl-, methyl ester)
558437-61-9 structure
Product Name:Propanoic acid, 3-(4-methoxyphenoxy)-2,2-dimethyl-, methyl ester
CAS No:558437-61-9
MF:C13H18O4
MW:238.279624462128
CID:335821
PubChem ID:11053697
Update Time:2025-04-19
Propanoic acid, 3-(4-methoxyphenoxy)-2,2-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-(4-methoxyphenoxy)-2,2-dimethyl-, methyl ester
- methyl 3-(4-methoxyphenoxy)-2,2-dimethylpropanoate
- SCHEMBL3881117
- DTXSID20453519
- 558437-61-9
- methyl 3-(4-methoxyphenoxy)-2,2-dimethylpropionate
- AKOS018178686
- FCEYKKONVOHFDR-UHFFFAOYSA-N
-
- MDL： MFCD23326358
- Inchi： 1S/C13H18O4/c1-13(2,12(14)16-4)9-17-11-7-5-10(15-3)6-8-11/h5-8H,9H2,1-4H3
- InChI Key： FCEYKKONVOHFDR-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)OC)CC(C(=O)OC)(C)C
Computed Properties
- Exact Mass: 238.12050905g/mol
- Monoisotopic Mass: 238.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 242
- 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: 2.6
- Topological Polar Surface Area: 44.8?2
Propanoic acid, 3-(4-methoxyphenoxy)-2,2-dimethyl-, methyl ester Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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