Cas no 79864-10-1 (Dodecyl tridecyl benzene-1,2-dicarboxylate)
79864-10-1 structure
Product Name:Dodecyl tridecyl benzene-1,2-dicarboxylate
CAS No:79864-10-1
MF:C33H56O4
MW:516.795351028442
CID:2802491
PubChem ID:71401490
Update Time:2025-04-21
Dodecyl tridecyl benzene-1,2-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- 79864-10-1
- DTXSID30822530
- CZWBNUUKXREFFH-UHFFFAOYSA-N
- Dodecyl tridecyl benzene-1,2-dicarboxylate
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- Inchi： 1S/C33H56O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-22-26-30(31)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h22-23,26-27H,3-21,24-25,28-29H2,1-2H3
- InChI Key： CZWBNUUKXREFFH-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCCCCCCCCC)=O)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 516.41786026Da
- Monoisotopic Mass: 516.41786026Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 37
- Rotatable Bond Count: 27
- Complexity: 532
- 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: 13.9
- Topological Polar Surface Area: 52.6?2
Dodecyl tridecyl benzene-1,2-dicarboxylate Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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