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

5-tert-Butyl-2-methoxybenzoic acid

CAS No.:
73469-54-2
Catalog Number:
AG003MYN
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
10g
97%
In Stock USA
United States
$400
- +
25g
97%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG003MYN
Chemical Name:
5-tert-Butyl-2-methoxybenzoic acid
CAS Number:
73469-54-2
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD02093964
IUPAC Name:
5-tert-butyl-2-methoxybenzoic acid
InChI:
InChI=1S/C12H16O3/c1-12(2,3)8-5-6-10(15-4)9(7-8)11(13)14/h5-7H,1-4H3,(H,13,14)
InChI Key:
ZXMIDYAIOHHLRW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)C(C)(C)C
Properties
Complexity:
230  
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:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties