Home Other Building Blocks 2-Pivalamidobenzoic acid

2-Pivalamidobenzoic acid

CAS No.:
101724-84-9
Catalog Number:
AG0005BQ
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG0005BQ
Chemical Name:
2-Pivalamidobenzoic acid
CAS Number:
101724-84-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD01006384
IUPAC Name:
2-(2,2-dimethylpropanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-12(2,3)11(16)13-9-7-5-4-6-8(9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChI Key:
PGCLHEDGEGINOE-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccccc1C(=O)O
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties