Cas no 773873-61-3 (Benzoic acid,2-ethoxy-5-(1-methylethyl)-)
773873-61-3 structure
Product Name:Benzoic acid,2-ethoxy-5-(1-methylethyl)-
CAS No:773873-61-3
MF:C12H16O3
MW:208.253643989563
CID:552286
PubChem ID:45094120
Update Time:2025-04-19
Benzoic acid,2-ethoxy-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,2-ethoxy-5-(1-methylethyl)-
- Benzoic acid, 2-ethoxy-5-(1-methylethyl)- (9CI)
- 773873-61-3
- DTXSID801282839
- SCHEMBL24413627
- 2-Ethoxy-5-(1-methylethyl)benzoic acid
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- Inchi: 1S/C12H16O3/c1-4-15-11-6-5-9(8(2)3)7-10(11)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)
- InChI Key: PEPZKJNLBDZDSF-UHFFFAOYSA-N
- SMILES: O(CC)C1C=CC(=CC=1C(=O)O)C(C)C
Computed Properties
- Exact Mass: 208.11
- 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: 4
- Complexity: 213
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 2.9
Benzoic acid,2-ethoxy-5-(1-methylethyl)- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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