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90284-32-5

90284-32-5 | Butanoic acid, 4-amino-2-hydroxy-4-oxo-, phenylmethyl ester

CAS No: 90284-32-5 Catalog No: AG006GO5 MDL No:

Product Description

Catalog Number:
AG006GO5
Chemical Name:
Butanoic acid, 4-amino-2-hydroxy-4-oxo-, phenylmethyl ester
CAS Number:
90284-32-5
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
benzyl 4-amino-2-hydroxy-4-oxobutanoate
InChI:
InChI=1S/C11H13NO4/c12-10(14)6-9(13)11(15)16-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H2,12,14)
InChI Key:
IVGZJKOJWPUAGZ-UHFFFAOYSA-N
SMILES:
OC(C(=O)OCc1ccccc1)CC(=O)N

Properties

Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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