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Home Other Building Blocks Benzeneacetic acid, 4-hydroxy-α-oxo-

Benzeneacetic acid, 4-hydroxy-α-oxo-

CAS No.:
15573-67-8
Catalog Number:
AG001O5O
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
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Product Description
Catalog Number:
AG001O5O
Chemical Name:
Benzeneacetic acid, 4-hydroxy-α-oxo-
CAS Number:
15573-67-8
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
MDL Number:
MFCD13192798
IUPAC Name:
2-(4-hydroxyphenyl)-2-oxoacetic acid
InChI:
InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)
InChI Key:
KXFJZKUFXHWWAJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)C(=O)O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.132g/mol
Monoisotopic Mass:
166.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Carnitine palmitoyltransferase (CPT) modulators: a medicinal chemistry perspective on 35 years of research. Journal of medicinal chemistry 20110512
Divalent and trivalent alpha-ketocarboxylic acids as inhibitors of protein tyrosine phosphatases. Journal of medicinal chemistry 20020829
Properties