Cas no 913359-24-7 (Acetic acid, [4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenoxy]-)
913359-24-7 structure
Product Name:Acetic acid, [4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenoxy]-
CAS No:913359-24-7
MF:C25H26O5
MW:406.470947742462
CID:749299
PubChem ID:57623966
Update Time:2025-04-19
Acetic acid, [4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, [4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenoxy]-
- 2-[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenoxy]acetic acid
- SCHEMBL12602845
- 913359-24-7
- DTXSID90727350
- {4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenoxy}acetic acid
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- Inchi: 1S/C25H26O5/c1-14-9-19(10-15(2)24(14)28)23(20-11-16(3)25(29)17(4)12-20)18-5-7-21(8-6-18)30-13-22(26)27/h5-12,23,28-29H,13H2,1-4H3,(H,26,27)
- InChI Key: SSLIEQPTFQDTHH-UHFFFAOYSA-N
- SMILES: OC1C(C)=CC(=CC=1C)C(C1C=CC(=CC=1)OCC(=O)O)C1C=C(C)C(=C(C)C=1)O
Computed Properties
- Exact Mass: 406.17802393g/mol
- Monoisotopic Mass: 406.17802393g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 504
- 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: 5.7
- Topological Polar Surface Area: 87?2
Acetic acid, [4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenoxy]- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
913359-24-7 (Acetic acid, [4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenoxy]-) Related Products
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