sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 4-(Mesitylamino)-4-oxobutanoic acid

4-(Mesitylamino)-4-oxobutanoic acid

CAS No.:
201741-53-9
Catalog Number:
AG0027TK
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:
AG0027TK
Chemical Name:
4-(Mesitylamino)-4-oxobutanoic acid
CAS Number:
201741-53-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD00029827
IUPAC Name:
4-oxo-4-(2,4,6-trimethylanilino)butanoic acid
InChI:
InChI=1S/C13H17NO3/c1-8-6-9(2)13(10(3)7-8)14-11(15)4-5-12(16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
PJMRDZKSIBMEJF-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(C)cc(cc1C)C)CCC(=O)O
Properties
Complexity:
278  
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:
1.6  
Literature
Title Journal
N-(2,4,6-Trimethyl-phen-yl)succinamic acid. Acta crystallographica. Section E, Structure reports online 20090801
Properties