Cas no 62381-17-3 (Benzeneacetic acid, 2-methyl-, 1,1-dimethylethyl ester)
62381-17-3 structure
Product Name:Benzeneacetic acid, 2-methyl-, 1,1-dimethylethyl ester
CAS No:62381-17-3
MF:C13H18O2
MW:206.280824184418
CID:446998
PubChem ID:59473897
Update Time:2025-04-19
Benzeneacetic acid, 2-methyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-methyl-, 1,1-dimethylethyl ester
- tert-butyl 2-(2-methylphenyl)acetate
- AKOS013212244
- tert-Butyl (2-methylphenyl)acetate
- DTXSID00732157
- SCHEMBL12318344
- 62381-17-3
-
- Inchi： 1S/C13H18O2/c1-10-7-5-6-8-11(10)9-12(14)15-13(2,3)4/h5-8H,9H2,1-4H3
- InChI Key： VKCHCZAHCJKTAH-UHFFFAOYSA-N
- SMILES： O(C(CC1C=CC=CC=1C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 26.3?2
Experimental Properties
- PSA: 26.3
Benzeneacetic acid, 2-methyl-, 1,1-dimethylethyl ester 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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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