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Home Other Building Blocks 4-tert-Butylphenoxyacetic acid

4-tert-Butylphenoxyacetic acid

CAS No.:
1798-04-5
Catalog Number:
AG00279H
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$87
- +
25g
98%(GC)
In Stock USA
United States
$258
- +
100g
98%(GC)
In Stock USA
United States
$735
- +
Product Description
Catalog Number:
AG00279H
Chemical Name:
4-tert-Butylphenoxyacetic acid
CAS Number:
1798-04-5
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00021758
IUPAC Name:
2-(4-tert-butylphenoxy)acetic acid
InChI:
InChI=1S/C12H16O3/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key:
FBIGAJNVRFKBJL-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)C(C)(C)C
NSC Number:
8481
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties