Cas no 105540-41-8 (3-Isopropyl-5-methyl-1-benzo[b]furan)
![3-Isopropyl-5-methyl-1-benzo[b]furan structure](https://ossimg.kuujia.com/scimg/106000/105540-41-8x500.png)
105540-41-8 structure
Product Name:3-Isopropyl-5-methyl-1-benzo[b]furan
CAS No:105540-41-8
MF:C12H14O
MW:174.238963603973
CID:893708
PubChem ID:57593985
Update Time:2024-02-29
3-Isopropyl-5-methyl-1-benzo[b]furan Chemical and Physical Properties
Names and Identifiers
-
- Benzofuran,3-isopropyl-5-methyl-(6CI)
- 3-Isopropyl-5-methyl-1-benzo[b]furan
-
- Inchi： 1S/C12H14O/c1-8(2)11-7-13-12-5-4-9(3)6-10(11)12/h4-8H,1-3H3
- InChI Key： GVBLFVXPJJTZEO-UHFFFAOYSA-N
- SMILES： O1C=C(C2C=C(C)C=CC1=2)C(C)C
Computed Properties
- Exact Mass: 174.104
- Monoisotopic Mass: 174.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 13.1
- XLogP3: 3.8
3-Isopropyl-5-methyl-1-benzo[b]furan Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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5. 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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