Home Aminos 4-(3-aminophenyl)-4-oxobutanoic acid

4-(3-aminophenyl)-4-oxobutanoic acid

CAS No.:
52240-15-0
Catalog Number:
AG00VUAO
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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Product Description
Catalog Number:
AG00VUAO
Chemical Name:
4-(3-aminophenyl)-4-oxobutanoic acid
CAS Number:
52240-15-0
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00134766
IUPAC Name:
4-(3-aminophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H11NO3/c11-8-3-1-2-7(6-8)9(12)4-5-10(13)14/h1-3,6H,4-5,11H2,(H,13,14)
InChI Key:
OXYYRRANNTYYIP-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1cccc(c1)N
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties