Cas no 64450-65-3 (Benzeneacetic acid,4-methoxy-, 1-methylethyl ester)
64450-65-3 structure
Product Name:Benzeneacetic acid,4-methoxy-, 1-methylethyl ester
CAS No:64450-65-3
MF:C12H16O3
MW:208.253643989563
CID:516513
PubChem ID:230170
Update Time:2025-04-19
Benzeneacetic acid,4-methoxy-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-methoxy-, 1-methylethyl ester
- 2-(1-methylethyl)benzofuran
- 2-isopropyl benzofuran
- 2-Isopropyl-1-benzofuran
- 2-isopropyl-benzofuran
- 2-isopropylbenzofurane
- AK147155
- CTK8D3938
- isopropyl 2-(4-methoxyphenyl)acetate
- isopropyl-2 benzofuranne
- isopropyl-2-(4-methoxyphenyl)acetate
- SureCN162882
-
- Inchi： 1S/C12H16O3/c1-9(2)15-12(13)8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3
- InChI Key： MIKVYRWSUUCYNM-UHFFFAOYSA-N
- SMILES： O(C(CC1C=CC(=CC=1)OC)=O)C(C)C
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 193
- 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: 2.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.043
- Boiling Point: 283.2°Cat760mmHg
- Flash Point: 114°C
- Refractive Index: 1.493
- PSA: 35.53
- LogP: 2.18930
Benzeneacetic acid,4-methoxy-, 1-methylethyl ester Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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