Home Other Building Blocks 2-(naphthalen-2-yl)-2-oxoacetic acid

2-(naphthalen-2-yl)-2-oxoacetic acid

CAS No.:
14289-45-3
Catalog Number:
AG01DW1I
Molecular Formula:
C12H8O3
Molecular Weight:
200.1901
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Product Description
Catalog Number:
AG01DW1I
Chemical Name:
2-(naphthalen-2-yl)-2-oxoacetic acid
CAS Number:
14289-45-3
Molecular Formula:
C12H8O3
Molecular Weight:
200.1901
MDL Number:
MFCD07698693
IUPAC Name:
2-naphthalen-2-yl-2-oxoacetic acid
InChI:
InChI=1S/C12H8O3/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15)
InChI Key:
UQQMNAKUWQWIMD-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.047g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.193g/mol
Monoisotopic Mass:
200.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
alpha-Ketocarboxylic acid-based inhibitors of protein tyrosine phosphatases. Bioorganic & medicinal chemistry letters 20010723
Properties