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Home Aminos 4-Methyl-3-[(3-methylbutanoyl)amino]benzoic acid

4-Methyl-3-[(3-methylbutanoyl)amino]benzoic acid

CAS No.:
915923-60-3
Catalog Number:
AG00GTS8
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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:
AG00GTS8
Chemical Name:
4-Methyl-3-[(3-methylbutanoyl)amino]benzoic acid
CAS Number:
915923-60-3
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD08569897
IUPAC Name:
4-methyl-3-(3-methylbutanoylamino)benzoic acid
InChI:
InChI=1S/C13H17NO3/c1-8(2)6-12(15)14-11-7-10(13(16)17)5-4-9(11)3/h4-5,7-8H,6H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
ZZUQMZLGKVBIQM-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Nc1cc(ccc1C)C(=O)O)C
Properties
Complexity:
288  
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:
2  
Properties