Home Aminos 3-[(3,3-Dimethylbutanoyl)amino]benzoic acid

3-[(3,3-Dimethylbutanoyl)amino]benzoic acid

CAS No.:
915923-42-1
Catalog Number:
AG006GJ3
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG006GJ3
Chemical Name:
3-[(3,3-Dimethylbutanoyl)amino]benzoic acid
CAS Number:
915923-42-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD08569894
IUPAC Name:
3-(3,3-dimethylbutanoylamino)benzoic acid
InChI:
InChI=1S/C13H17NO3/c1-13(2,3)8-11(15)14-10-6-4-5-9(7-10)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
FLPJVCYHCRNXQX-UHFFFAOYSA-N
SMILES:
O=C(CC(C)(C)C)Nc1cccc(c1)C(=O)O
Properties
Complexity:
294  
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:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties