Home Aminos 3-(Isobutyrylamino)-4-methylbenzoic acid

3-(Isobutyrylamino)-4-methylbenzoic acid

CAS No.:
915921-46-9
Catalog Number:
AG006GL1
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:
AG006GL1
Chemical Name:
3-(Isobutyrylamino)-4-methylbenzoic acid
CAS Number:
915921-46-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD08569891
IUPAC Name:
4-methyl-3-(2-methylpropanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-7(2)11(14)13-10-6-9(12(15)16)5-4-8(10)3/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChI Key:
ITNJBNSCALFBTK-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1cc(ccc1C)C(=O)O)C
Properties
Complexity:
275  
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:
1.8  
Properties