Cas no 89744-93-4 (Propanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-methyl-)
89744-93-4 structure
Product Name:Propanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-methyl-
CAS No:89744-93-4
MF:C20H32O3
MW:320.466286659241
CID:590465
PubChem ID:58722600
Update Time:2025-04-19
Propanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-methylpropanoic acid
- Propanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-methyl-
- SCHEMBL14566001
- DTXSID40729768
- 89744-93-4
-
- Inchi: 1S/C20H32O3/c1-9-18(3,4)14-11-12-16(23-20(7,8)17(21)22)15(13-14)19(5,6)10-2/h11-13H,9-10H2,1-8H3,(H,21,22)
- InChI Key: ZYSMRQQLDCYFRD-UHFFFAOYSA-N
- SMILES: O(C(C(=O)O)(C)C)C1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC
Computed Properties
- Exact Mass: 320.23514488g/mol
- Monoisotopic Mass: 320.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 409
- 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: 6.5
- Topological Polar Surface Area: 46.5?2
Propanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-methyl- Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
89744-93-4 (Propanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-methyl-) Related Products
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