Cas no 82975-91-5 (1,2-Benzenedicarboxylicacid, mono(2-carboxyhexyl) ester (9CI))
82975-91-5 structure
Product Name:1,2-Benzenedicarboxylicacid, mono(2-carboxyhexyl) ester (9CI)
CAS No:82975-91-5
MF:C15H18O6
MW:294.299825191498
CID:730664
PubChem ID:187352
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, mono(2-carboxyhexyl) ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, mono(2-carboxyhexyl) ester (9CI)
- 2-(2-carboxyhexoxycarbonyl)benzoic acid
- 2-{[(2-carboxyhexyl)oxy]carbonyl}benzoic acid
- DTXSID301003036
- 82975-91-5
- 1,2-Benzenedicarboxylic acid, mono(2-carboxyhexyl) ester
-
- Inchi： 1S/C15H18O6/c1-2-3-6-10(13(16)17)9-21-15(20)12-8-5-4-7-11(12)14(18)19/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,17)(H,18,19)
- InChI Key： FODZFSZQPSMJMC-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)O)=O)CC(C(=O)O)CCCC
Computed Properties
- Exact Mass: 294.110338
- Monoisotopic Mass: 294.110338
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 9
- Complexity: 378
- 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
- Topological Polar Surface Area: 101
- XLogP3: 2.8
Experimental Properties
- Density: 1.258
- Boiling Point: 504.8°C at 760 mmHg
- Flash Point: 187°C
- Refractive Index: 1.547
1,2-Benzenedicarboxylicacid, mono(2-carboxyhexyl) ester (9CI) Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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