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66667-02-5,MFCD08436972
Catalog No.:AA01A2CV
66667-02-5 | 2-(tert-butoxy)-2-phenylacetic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$263.00   $184.00
- +
500mg
95.0%
3 weeks  
$443.00   $310.00
- +
1g
95.0%
3 weeks  
$652.00   $456.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA01A2CV
Chemical Name:
2-(tert-butoxy)-2-phenylacetic acid
CAS Number:
66667-02-5
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD08436972
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]-2-phenylacetic acid
InChI:
InChI=1S/C12H16O3/c1-12(2,3)15-10(11(13)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,13,14)
InChI Key:
YPCKHPPKPKEHMI-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.109944g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.25g/mol
Monoisotopic Mass:
208.109944g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5Ų
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
2-(tert-butoxy)-2-phenylacetic acid 
66667-02-5 
2-tert-butoxy-(2-phenyl)acetic acid 
SCHEMBL8080541 
NE27629 
Literature
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