Cas no 741707-53-9 (Benzene, [(1-butoxypropoxy)methyl]-)
![Benzene, [(1-butoxypropoxy)methyl]- structure](https://ossimg.kuujia.com/scimg/742000/741707-53-9x500.png)
741707-53-9 structure
Product Name:Benzene, [(1-butoxypropoxy)methyl]-
CAS No:741707-53-9
MF:C14H22O2
MW:222.323284626007
CID:530837
PubChem ID:21589973
Update Time:2025-04-19
Benzene, [(1-butoxypropoxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, [(1-butoxypropoxy)methyl]-
- 1-butoxypropoxymethylbenzene
- 741707-53-9
- [(1-BUTOXYPROPOXY)METHYL]BENZENE
- DTXSID40616169
-
- Inchi： 1S/C14H22O2/c1-3-5-11-15-14(4-2)16-12-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3
- InChI Key： FSODCVSMYDEYSC-UHFFFAOYSA-N
- SMILES： O(CCCC)C(CC)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 222.161979940g/mol
- Monoisotopic Mass: 222.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 18.5?2
Benzene, [(1-butoxypropoxy)methyl]- 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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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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