Cas no 142626-83-3 (Pentadecyl tridecyl benzene-1,4-dicarboxylate)
142626-83-3 structure
Product Name:Pentadecyl tridecyl benzene-1,4-dicarboxylate
CAS No:142626-83-3
MF:C36H62O4
MW:558.875092029572
CID:2775222
PubChem ID:21645019
Update Time:2025-04-21
Pentadecyl tridecyl benzene-1,4-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- 142626-83-3
- SCHEMBL10448749
- DTXSID00616569
- Pentadecyl tridecyl benzene-1,4-dicarboxylate
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- Inchi: 1S/C36H62O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-32-40-36(38)34-29-27-33(28-30-34)35(37)39-31-25-23-21-19-17-14-12-10-8-6-4-2/h27-30H,3-26,31-32H2,1-2H3
- InChI Key: PTDSPKMZWMVTEC-UHFFFAOYSA-N
- SMILES: O(C(C1C=CC(=CC=1)C(=O)OCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 558.46481045Da
- Monoisotopic Mass: 558.46481045Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 40
- Rotatable Bond Count: 30
- Complexity: 567
- 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: 16.4
- Topological Polar Surface Area: 52.6?2
Pentadecyl tridecyl benzene-1,4-dicarboxylate 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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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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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
142626-83-3 (Pentadecyl tridecyl benzene-1,4-dicarboxylate) Related Products
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