Home Aminos 3-(Pentanoylamino)benzoic acid

3-(Pentanoylamino)benzoic acid

CAS No.:
174482-77-0
Catalog Number:
AG001ZOM
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG001ZOM
Chemical Name:
3-(Pentanoylamino)benzoic acid
CAS Number:
174482-77-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD00448067
IUPAC Name:
3-(pentanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-2-3-7-11(14)13-10-6-4-5-9(8-10)12(15)16/h4-6,8H,2-3,7H2,1H3,(H,13,14)(H,15,16)
InChI Key:
STTIGHKIHLCAAS-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Nc1cccc(c1)C(=O)O
Properties
Complexity:
253  
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:
2.7  
Properties