Cas no 53159-49-2 (3,4,9,10-Perylenetetracarboxylic acid, tetramethyl ester)
53159-49-2 structure
Product Name:3,4,9,10-Perylenetetracarboxylic acid, tetramethyl ester
CAS No:53159-49-2
MF:C28H20O8
MW:484.453608512878
CID:357860
PubChem ID:14931394
Update Time:2025-04-19
3,4,9,10-Perylenetetracarboxylic acid, tetramethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3,4,9,10-Perylenetetracarboxylic acid, tetramethyl ester
- tetramethyl perylene-3,4,9,10-tetracarboxylate
- perylene-3,4,9,10-tetracarboxylic acid tetramethyl ester
- DTXSID90565633
- 53159-49-2
- SCHEMBL7651251
-
- Inchi： 1S/C28H20O8/c1-33-25(29)17-9-5-13-15-7-11-19(27(31)35-3)24-20(28(32)36-4)12-8-16(22(15)24)14-6-10-18(26(30)34-2)23(17)21(13)14/h5-12H,1-4H3
- InChI Key： VOLKDAJYLBCCQV-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=C2C3C=CC(C(=O)OC)=C4C(C(=O)OC)=CC=C(C5C=CC(C(=O)OC)=C1C2=5)C=34)=O
Computed Properties
- Exact Mass: 484.1158
- Monoisotopic Mass: 484.11581759g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 36
- Rotatable Bond Count: 8
- Complexity: 760
- 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: 5.2
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 105.2
3,4,9,10-Perylenetetracarboxylic acid, tetramethyl ester Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
53159-49-2 (3,4,9,10-Perylenetetracarboxylic acid, tetramethyl ester) Related Products
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