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

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

CAS No.:
448250-78-0
Catalog Number:
AG00DARM
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00DARM
Chemical Name:
4-[(2-isopropylphenyl)amino]-4-oxobutanoic acid
CAS Number:
448250-78-0
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD01034361
IUPAC Name:
4-oxo-4-(2-propan-2-ylanilino)butanoic acid
InChI:
InChI=1S/C13H17NO3/c1-9(2)10-5-3-4-6-11(10)14-12(15)7-8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
JXJXZYKBWQRTIO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C(C)C)CCC(=O)O
Properties
Complexity:
276  
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:
1.1  
Properties