Cas no 89019-90-9 (Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylpropyl)phenyl ester)
89019-90-9 structure
Product Name:Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylpropyl)phenyl ester
CAS No:89019-90-9
MF:C18H20O3
MW:284.349605560303
CID:615761
PubChem ID:23297424
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylpropyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylpropyl)phenyl ester
- [4-(2-methylbutan-2-yl)phenyl] 2-hydroxybenzoate
- DTXSID50632673
- 4-(2-Methylbutan-2-yl)phenyl 2-hydroxybenzoate
- 89019-90-9
- SCHEMBL8205574
-
- Inchi： 1S/C18H20O3/c1-4-18(2,3)13-9-11-14(12-10-13)21-17(20)15-7-5-6-8-16(15)19/h5-12,19H,4H2,1-3H3
- InChI Key： OASCOLAFQZWAIO-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1O)=O)C1C=CC(=CC=1)C(C)(C)CC
Computed Properties
- Exact Mass: 284.14124450g/mol
- Monoisotopic Mass: 284.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 342
- 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: 6
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylpropyl)phenyl ester Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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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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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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
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