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Home Other Building Blocks 5-tert-Butyl-2-hydroxybenzoic acid

5-tert-Butyl-2-hydroxybenzoic acid

CAS No.:
16094-31-8
Catalog Number:
AG001VIL
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$82
- +
1g
96%
In Stock USA
United States
$175
- +
5g
96%
In Stock USA
United States
$650
- +
Product Description
Catalog Number:
AG001VIL
Chemical Name:
5-tert-Butyl-2-hydroxybenzoic acid
CAS Number:
16094-31-8
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00156971
IUPAC Name:
5-tert-butyl-2-hydroxybenzoic acid
InChI:
InChI=1S/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)
InChI Key:
XAICWTLLSRXZPB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)C(C)(C)C
EC Number:
240-258-3
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach. Journal of medicinal chemistry 20050407
Properties