Cas no 60956-38-9 (1,2-Benzenedicarboxylic acid, bis(5-hydroxypentyl) ester)
60956-38-9 structure
Product Name:1,2-Benzenedicarboxylic acid, bis(5-hydroxypentyl) ester
CAS No:60956-38-9
MF:C18H26O6
MW:338.395446300507
CID:1624125
PubChem ID:67171326
Update Time:2025-04-21
1,2-Benzenedicarboxylic acid, bis(5-hydroxypentyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, bis(5-hydroxypentyl) ester
- bis(5-hydroxypentyl) benzene-1,2-dicarboxylate
- DTXSID80736557
- SCHEMBL1813573
- 60956-38-9
-
- Inchi： 1S/C18H26O6/c19-11-5-1-7-13-23-17(21)15-9-3-4-10-16(15)18(22)24-14-8-2-6-12-20/h3-4,9-10,19-20H,1-2,5-8,11-14H2
- InChI Key： KCLMJRJAVVSCFS-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCCO)=O)CCCCCO
Computed Properties
- Exact Mass: 338.17298
- Monoisotopic Mass: 338.17293854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 14
- Complexity: 323
- 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: 3
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- PSA: 93.06
1,2-Benzenedicarboxylic acid, bis(5-hydroxypentyl) ester Related Literature
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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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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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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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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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