Cas no 90020-73-8 (Hexanedioic acid, 3,4-dimethyl-3,4-diphenyl-)
90020-73-8 structure
Product Name:Hexanedioic acid, 3,4-dimethyl-3,4-diphenyl-
CAS No:90020-73-8
MF:C20H22O4
MW:326.386286258698
CID:796199
PubChem ID:13237570
Update Time:2025-04-19
Hexanedioic acid, 3,4-dimethyl-3,4-diphenyl- Chemical and Physical Properties
Names and Identifiers
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- Hexanedioic acid, 3,4-dimethyl-3,4-diphenyl-
- 3,4-dimethyl-3,4-diphenylhexanedioic acid
- DTXSID40530992
- 90020-73-8
-
- Inchi： 1S/C20H22O4/c1-19(13-17(21)22,15-9-5-3-6-10-15)20(2,14-18(23)24)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,21,22)(H,23,24)
- InChI Key： NDEAITMURKTQGH-UHFFFAOYSA-N
- SMILES： OC(CC(C)(C1C=CC=CC=1)C(C)(C1C=CC=CC=1)CC(=O)O)=O
Computed Properties
- Exact Mass: 326.15180918g/mol
- Monoisotopic Mass: 326.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 407
- 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: 3.8
- Topological Polar Surface Area: 74.6?2
Hexanedioic acid, 3,4-dimethyl-3,4-diphenyl- Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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