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

4-[(2-tert-Butylphenyl)amino]-4-oxobutanoic acid

CAS No.:
904807-77-8
Catalog Number:
AG00GTPQ
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
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:
AG00GTPQ
Chemical Name:
4-[(2-tert-Butylphenyl)amino]-4-oxobutanoic acid
CAS Number:
904807-77-8
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD06067116
IUPAC Name:
4-(2-tert-butylanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C14H19NO3/c1-14(2,3)10-6-4-5-7-11(10)15-12(16)8-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChI Key:
OHADMZXCKCKARP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C(C)(C)C)CCC(=O)O
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties