Cas no 55000-43-6 (2,4-Dimethylbenzyl 2,4-dimethylbenzoate)
55000-43-6 structure
Product Name:2,4-Dimethylbenzyl 2,4-dimethylbenzoate
CAS No:55000-43-6
MF:C18H20O2
MW:268.350205421448
CID:2185688
Update Time:2023-08-05
2,4-Dimethylbenzyl 2,4-dimethylbenzoate Chemical and Physical Properties
Names and Identifiers
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- 2,4-Dimethylbenzoic acid (2,4-dimethylphenyl)methyl ester
- 2,4-Dimethylbenzyl 2,4-dimethylbenzoate
- ILIUOWSMMKSNSB-UHFFFAOYSA-N
- Benzoic acid, 2,4-dimethyl-, (2,4-dimethylphenyl)methyl ester
- 2,4-Dimethylbenzyl 2,4-dimethylbenzoate #
- 2,4-Dimethylbenzoic acid 2,4-dimethylbenzyl ester
-
- Inchi： 1S/C18H20O2/c1-12-5-7-16(14(3)9-12)11-20-18(19)17-8-6-13(2)10-15(17)4/h5-10H,11H2,1-4H3
- InChI Key： ILIUOWSMMKSNSB-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C)=CC=1C)=O)CC1C=CC(C)=CC=1C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 325
- Topological Polar Surface Area: 26.3
2,4-Dimethylbenzyl 2,4-dimethylbenzoate Related Literature
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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