Cas no 72170-47-9 (Benzyl hexyl benzene-1,2-dicarboxylate)
72170-47-9 structure
Product Name:Benzyl hexyl benzene-1,2-dicarboxylate
CAS No:72170-47-9
MF:C21H24O4
MW:340.412866592407
CID:2800142
PubChem ID:20459154
Update Time:2025-04-21
Benzyl hexyl benzene-1,2-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- Benzyl hexyl benzene-1,2-dicarboxylate
- DTXSID40607436
- KGMYJDOPDNACPU-UHFFFAOYSA-N
- 72170-47-9
- SCHEMBL919266
-
- Inchi： 1S/C21H24O4/c1-2-3-4-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16-17-11-6-5-7-12-17/h5-9,11-14H,2-4,10,15-16H2,1H3
- InChI Key： KGMYJDOPDNACPU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCC1C=CC=CC=1)=O)CCCCCC
Computed Properties
- Exact Mass: 340.16745924g/mol
- Monoisotopic Mass: 340.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 11
- Complexity: 401
- 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: 52.6?2
Benzyl hexyl benzene-1,2-dicarboxylate Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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