Cas no 55000-44-7 (2,5-Dimethylbenzyl 2,4-dimethylbenzoate)
55000-44-7 structure
Product Name:2,5-Dimethylbenzyl 2,4-dimethylbenzoate
CAS No:55000-44-7
MF:C18H20O2
MW:268.350205421448
CID:2185689
Update Time:2023-08-05
2,5-Dimethylbenzyl 2,4-dimethylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Dimethylbenzoic acid (2,5-dimethylphenyl)methyl ester
- 2,5-Dimethylbenzyl 2,4-dimethylbenzoate
- RARMAAOPLKXGLM-UHFFFAOYSA-N
- Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester
- 2,5-Dimethylbenzyl 2,4-dimethylbenzoate #
-
- Inchi： 1S/C18H20O2/c1-12-6-8-17(15(4)9-12)18(19)20-11-16-10-13(2)5-7-14(16)3/h5-10H,11H2,1-4H3
- InChI Key： RARMAAOPLKXGLM-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C)=CC=1C)=O)CC1C=C(C)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
2,5-Dimethylbenzyl 2,4-dimethylbenzoate Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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