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1467-70-5 | 2-Furanacetic acid, α-oxo-
CAS No: 1467-70-5 Catalog No: AG001E9C MDL No:MFCD00042671
Product Description
Catalog Number:
AG001E9C
Chemical Name:
2-Furanacetic acid, α-oxo-
CAS Number:
1467-70-5
Molecular Formula:
C6H4O4
Molecular Weight:
140.0936
MDL Number:
MFCD00042671
IUPAC Name:
2-(furan-2-yl)-2-oxoacetic acid
InChI:
InChI=1S/C6H4O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)
InChI Key:
IXVPCJUAKDVYKX-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1ccco1
EC Number:
215-990-1
NSC Number:
59069
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.011g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.094g/mol
Monoisotopic Mass:
140.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| alpha-Ketocarboxylic acid-based inhibitors of protein tyrosine phosphatases. | Bioorganic & medicinal chemistry letters 20010723 |
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