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Home Other Building Blocks 4-Hydroxybenzoic acid sec-butyl ester

4-Hydroxybenzoic acid sec-butyl ester

CAS No.:
17696-61-6
Catalog Number:
AG002506
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$63
- +
25g
95%
In Stock USA
United States
$157
- +
100g
95%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG002506
Chemical Name:
4-Hydroxybenzoic acid sec-butyl ester
CAS Number:
17696-61-6
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00059626
IUPAC Name:
butan-2-yl 4-hydroxybenzoate
InChI:
InChI=1S/C11H14O3/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h4-8,12H,3H2,1-2H3
InChI Key:
ZUOTXZHOGPQFIU-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)c1ccc(cc1)O)C
EC Number:
241-697-3
Properties
Complexity:
183  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Simultaneous determination of preservatives in beverages, vinegar, aqueous sauces, and quasi-drug drinks by stir-bar sorptive extraction (SBSE) and thermal desorption GC-MS. Analytical and bioanalytical chemistry 20020501
Properties