Home Aminos 4-[(2-Acetylphenyl)amino]-4-oxobutanoic acid

4-[(2-Acetylphenyl)amino]-4-oxobutanoic acid

CAS No.:
41242-37-9
Catalog Number:
AG00C62Q
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00C62Q
Chemical Name:
4-[(2-Acetylphenyl)amino]-4-oxobutanoic acid
CAS Number:
41242-37-9
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD01751603
IUPAC Name:
4-(2-acetylanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C12H13NO4/c1-8(14)9-4-2-3-5-10(9)13-11(15)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)
InChI Key:
AJFVLYLOGPQKGZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)Nc1ccccc1C(=O)C
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties