Cas no 6622-43-1 (2,5-diphenylhexanedioic acid)
2,5-diphenylhexanedioic acid structure
Product Name:2,5-diphenylhexanedioic acid
CAS No:6622-43-1
MF:C18H18O4
MW:298.333125591278
CID:1706143
PubChem ID:245609
Update Time:2025-04-21
2,5-diphenylhexanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,5-diphenylhexanedioic acid
- 6622-43-1
- NCIOpen2_002246
- MLS002667899
- HMS3089K09
- NSC57717
- SMR001557656
- CHEMBL1715280
- NSC-57717
- DS-003709
- DTXSID70288818
-
- Inchi： 1S/C18H18O4/c19-17(20)15(13-7-3-1-4-8-13)11-12-16(18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)
- InChI Key： ZEUFEFSWMUFREP-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)CCC(C(=O)O)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 298.12054
- Monoisotopic Mass: 298.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 331
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.244
- Boiling Point: 501.5°C at 760 mmHg
- Flash Point: 271.2°C
- Refractive Index: 1.599
- PSA: 74.6
2,5-diphenylhexanedioic acid Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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