Home Aminos 4-(Pentanoylamino)benzoic acid

4-(Pentanoylamino)benzoic acid

CAS No.:
100390-76-9
Catalog Number:
AG0001VI
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG0001VI
Chemical Name:
4-(Pentanoylamino)benzoic acid
CAS Number:
100390-76-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD01365923
IUPAC Name:
4-(pentanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-2-3-4-11(14)13-10-7-5-9(6-8-10)12(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChI Key:
SBQFPXHBAJDVLV-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
245  
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:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties