Cas no 88475-91-6 (Benzoic acid, 4-(1-pyrenylcarbonyl)-)
88475-91-6 structure
Product Name:Benzoic acid, 4-(1-pyrenylcarbonyl)-
CAS No:88475-91-6
MF:C24H14O3
MW:350.366166591644
CID:631314
PubChem ID:14205058
Update Time:2025-04-19
Benzoic acid, 4-(1-pyrenylcarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(1-pyrenylcarbonyl)-
- 4-(pyrene-1-carbonyl)benzoic acid
- SCHEMBL10534461
- 88475-91-6
- DTXSID30557395
-
- Inchi： 1S/C24H14O3/c25-23(17-6-8-18(9-7-17)24(26)27)20-13-11-16-5-4-14-2-1-3-15-10-12-19(20)22(16)21(14)15/h1-13H,(H,26,27)
- InChI Key： DLHIMCRXEFDCTP-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C(=O)O)=CC=1)C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C43
Computed Properties
- Exact Mass: 350.094294304g/mol
- Monoisotopic Mass: 350.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 590
- 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: 5.9
- Topological Polar Surface Area: 54.4?2
Benzoic acid, 4-(1-pyrenylcarbonyl)- Related Literature
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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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2. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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