Home Aminos 3-[(2-Ethylbutanoyl)amino]benzoic acid

3-[(2-Ethylbutanoyl)amino]benzoic acid

CAS No.:
915923-97-6
Catalog Number:
AG00J3XO
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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:
AG00J3XO
Chemical Name:
3-[(2-Ethylbutanoyl)amino]benzoic acid
CAS Number:
915923-97-6
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD07364799
IUPAC Name:
3-(2-ethylbutanoylamino)benzoic acid
InChI:
InChI=1S/C13H17NO3/c1-3-9(4-2)12(15)14-11-7-5-6-10(8-11)13(16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
UROVTCQGMDLCEE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Nc1cccc(c1)C(=O)O)CC
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties