Cas no 918531-41-6 (4-Pyrenecarboxylic acid, 2,7-bis(1,1-dimethylethyl)-)
918531-41-6 structure
Product Name:4-Pyrenecarboxylic acid, 2,7-bis(1,1-dimethylethyl)-
CAS No:918531-41-6
MF:C25H26O2
MW:358.472747325897
CID:773620
PubChem ID:71426848
Update Time:2025-04-19
4-Pyrenecarboxylic acid, 2,7-bis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrenecarboxylic acid, 2,7-bis(1,1-dimethylethyl)-
- 2,7-ditert-butylpyrene-4-carboxylic acid
- SCHEMBL13293024
- DTXSID50845600
- 2,7-DI-TERT-BUTYLPYRENE-4-CARBOXYLIC ACID
- 918531-41-6
-
- Inchi： 1S/C25H26O2/c1-24(2,3)17-9-14-7-8-15-10-18(25(4,5)6)13-19-20(23(26)27)12-16(11-17)21(14)22(15)19/h7-13H,1-6H3,(H,26,27)
- InChI Key： OVGVYSLKOQSGGR-UHFFFAOYSA-N
- SMILES： OC(C1=CC2C=C(C=C3C=CC4=CC(=CC1=C4C=23)C(C)(C)C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 358.193280068g/mol
- Monoisotopic Mass: 358.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 580
- 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: 7.9
- Topological Polar Surface Area: 37.3?2
4-Pyrenecarboxylic acid, 2,7-bis(1,1-dimethylethyl)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
918531-41-6 (4-Pyrenecarboxylic acid, 2,7-bis(1,1-dimethylethyl)-) Related Products
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