Home Carbonyls 3-(tert-Butoxycarbonyl)benzoic acid

3-(tert-Butoxycarbonyl)benzoic acid

CAS No.:
33704-19-7
Catalog Number:
AG00C8H9
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$99
- +
5g
96%
In Stock USA
United States
$350
- +
10g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00C8H9
Chemical Name:
3-(tert-Butoxycarbonyl)benzoic acid
CAS Number:
33704-19-7
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD04037899
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
InChI:
InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-6-4-5-8(7-9)10(13)14/h4-7H,1-3H3,(H,13,14)
InChI Key:
OFILKMBFUQQLSU-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)O)OC(C)(C)C
Properties
Complexity:
277  
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:
2.8  
Properties