Cas no 33975-26-7 (Isophthalic acid, dodecyl methyl ester)
33975-26-7 structure
Product Name:Isophthalic acid, dodecyl methyl ester
CAS No:33975-26-7
MF:C21H32O4
MW:348.476387023926
CID:2665237
Update Time:2023-08-06
Isophthalic acid, dodecyl methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Isophthalic acid, dodecyl methyl ester
- ORSGNGAZCWFZMX-UHFFFAOYSA-N
- 1-Dodecyl 3-methyl isophthalate #
- Isophthalic acid 1-dodecyl 3-methyl ester
-
- Inchi： 1S/C21H32O4/c1-3-4-5-6-7-8-9-10-11-12-16-25-21(23)19-15-13-14-18(17-19)20(22)24-2/h13-15,17H,3-12,16H2,1-2H3
- InChI Key： ORSGNGAZCWFZMX-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C(=O)OC)C=1)=O)CCCCCCCCCCCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 15
- Complexity: 367
- XLogP3: 7.7
- Topological Polar Surface Area: 52.6
Isophthalic acid, dodecyl methyl ester Related Literature
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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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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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