Cas no 383134-75-6 (Benzeneacetic acid,4-ethoxy-3-ethyl-)
383134-75-6 structure
Product Name:Benzeneacetic acid,4-ethoxy-3-ethyl-
CAS No:383134-75-6
MF:C12H16O3
MW:208.253643989563
CID:298517
Update Time:2024-01-27
Benzeneacetic acid,4-ethoxy-3-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-ethoxy-3-ethyl-
- Benzeneacetic acid, 4-ethoxy-3-ethyl- (9CI)
- Benzeneacetic acid, 4-ethoxy-3-ethyl-
-
- Inchi： 1S/C12H16O3/c1-3-10-7-9(8-12(13)14)5-6-11(10)15-4-2/h5-7H,3-4,8H2,1-2H3,(H,13,14)
- InChI Key： OZHMZRNUNFIPBL-UHFFFAOYSA-N
- SMILES： C1(CC(O)=O)=CC=C(OCC)C(CC)=C1
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 203
- 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
Experimental Properties
- Density: 1.094±0.06 g/cm3(Predicted)
- Boiling Point: 334.8±27.0 °C(Predicted)
- PSA: 46.53
- pka: 4.46±0.10(Predicted)
Benzeneacetic acid,4-ethoxy-3-ethyl- Related Literature
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
383134-75-6 (Benzeneacetic acid,4-ethoxy-3-ethyl-) Related Products
- 69999-16-2(2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid)
- 553-86-6(2,3-dihydro-1-benzofuran-2-one)
- 22047-88-7(2-Phenylmethoxybenzeneacetic Acid)
- 4919-33-9(4-Ethoxyphenylacetic acid)
- 93-25-4(2-Methoxyphenylacetic acid)
- 25563-02-4(2-Phenoxyphenylacetic acid)
- 104397-80-0((2,4,6-Trimethoxyphenyl)acetic acid)
- 1758-25-4(2-(2,5-dimethoxyphenyl)acetic acid)
- 6496-89-5(2,4-Dimethoxybenzeneacetic Acid)
- 100861-38-9(3-Methoxy-4-methylphenylacetic Acid)
Recommended suppliers
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
