Cas no 114609-17-5 (methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dimethylphenyl]acetate)
![methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dimethylphenyl]acetate structure](https://ossimg.kuujia.com/scimg/115000/114609-17-5x500.png)
114609-17-5 structure
Product Name:methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dimethylphenyl]acetate
CAS No:114609-17-5
MF:C14H18O4
MW:250.290324687958
CID:2613169
PubChem ID:71338462
Update Time:2025-04-21
methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dimethylphenyl]acetate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dimethylphenyl]acetate
- DTXSID30766041
- Dimethyl 2,2'-(2,5-dimethyl-1,4-phenylene)diacetate
- 114609-17-5
-
- Inchi： 1S/C14H18O4/c1-9-5-12(8-14(16)18-4)10(2)6-11(9)7-13(15)17-3/h5-6H,7-8H2,1-4H3
- InChI Key： DVILJBXRGGIODK-UHFFFAOYSA-N
- SMILES： O(C)C(CC1C=C(C)C(CC(=O)OC)=CC=1C)=O
Computed Properties
- Exact Mass: 250.12050905Da
- Monoisotopic Mass: 250.12050905Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 270
- 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: 2.2
- Topological Polar Surface Area: 52.6?2
methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dimethylphenyl]acetate Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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