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Home Other Building Blocks 472-41-3
472-41-3,MFCD00033694
Catalog No.:AA00DG1Y

472-41-3 | 4-(2,2,4-Trimethylchroman-4-yl)phenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$271.00   $190.00
- +
250mg
97%
in stock  
$366.00   $257.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DG1Y
Chemical Name:
4-(2,2,4-Trimethylchroman-4-yl)phenol
CAS Number:
472-41-3
Molecular Formula:
C18H20O2
Molecular Weight:
268.3502
MDL Number:
MFCD00033694
SMILES:
Oc1ccc(cc1)C1(C)CC(C)(C)Oc2c1cccc2
Properties
Properties
 
BP:
258°C at 760 mmHg  
Form:
Solid  
MP:
155-158°C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
343  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.5  

Literature

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20180201

Title: Mechanism of concerted hydrogen bond reorientation in clathrates of Dianin's compound and hydroquinone.

Journal: Journal of the American Chemical Society 20111123

Title: (R)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (S)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman.

Journal: Acta crystallographica. Section C, Crystal structure communications 20110501

Title: A double quantum (129)Xe NMR experiment for probing xenon in multiply-occupied cavities of solid-state inclusion compounds.

Journal: Physical chemistry chemical physics : PCCP 20070307

Title: Resolution of (S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization.

Journal: Acta crystallographica. Section C, Crystal structure communications 20050101

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Tags:472-41-3 Molecular Formula|472-41-3 MDL|472-41-3 SMILES|472-41-3 4-(2,2,4-Trimethylchroman-4-yl)phenol