Home Carbonyls 4-(tert-Butoxycarbonyl)benzoic acid

4-(tert-Butoxycarbonyl)benzoic acid

CAS No.:
20576-82-3
Catalog Number:
AG002ACW
Molecular Formula:
C12H13O4-
Molecular Weight:
221.2292
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$46
- +
250mg
95%
In Stock USA
United States
$68
- +
1g
95%
In Stock USA
United States
$74
- +
5g
97%
In Stock USA
United States
$263
- +
10g
97%
In Stock USA
United States
$438
- +
25g
97%
In Stock USA
United States
$875
- +
100g
97%
In Stock USA
United States
$2600
- +
Product Description
Catalog Number:
AG002ACW
Chemical Name:
4-(tert-Butoxycarbonyl)benzoic acid
CAS Number:
20576-82-3
Molecular Formula:
C12H13O4-
Molecular Weight:
221.2292
MDL Number:
MFCD04037901
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
InChI:
InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-6-4-8(5-7-9)10(13)14/h4-7H,1-3H3,(H,13,14)
InChI Key:
ILBDCOLCHNVWNS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties