Cas no 76644-70-7 (1,2-Benzenedicarboxylicacid, 1-(2-ethyl-6-hydroxyhexyl) 2-methyl ester)
76644-70-7 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-(2-ethyl-6-hydroxyhexyl) 2-methyl ester
CAS No:76644-70-7
MF:C17H24O5
MW:308.369465827942
CID:580426
PubChem ID:187110
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 1-(2-ethyl-6-hydroxyhexyl) 2-methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenedicarboxylicacid, 1-(2-ethyl-6-hydroxyhexyl) 2-methyl ester
- 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester
- 2-Ethyl-6-hydroxyhexyl methyl benzene-1,2-dicarboxylate
- 76644-70-7
- DTXSID10997972
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- Inchi： 1S/C17H24O5/c1-3-13(8-6-7-11-18)12-22-17(20)15-10-5-4-9-14(15)16(19)21-2/h4-5,9-10,13,18H,3,6-8,11-12H2,1-2H3
- InChI Key： DPVDUBDRSBIADR-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OC)=O)CC(CC)CCCCO
Computed Properties
- Exact Mass: 308.16237386g/mol
- Monoisotopic Mass: 308.16237386g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 11
- Complexity: 342
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 72.8?2
1,2-Benzenedicarboxylicacid, 1-(2-ethyl-6-hydroxyhexyl) 2-methyl ester Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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