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Home Other Building Blocks 3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one

3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one

CAS No.:
22639-17-4
Catalog Number:
AG01C225
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
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Product Description
Catalog Number:
AG01C225
Chemical Name:
3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one
CAS Number:
22639-17-4
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
MDL Number:
MFCD16658699
IUPAC Name:
3-hydroxy-2-(hydroxymethyl)-6-methylpyran-4-one
InChI:
InChI=1S/C7H8O4/c1-4-2-5(9)7(10)6(3-8)11-4/h2,8,10H,3H2,1H3
InChI Key:
NRHSKONRJVZHAX-UHFFFAOYSA-N
SMILES:
OCc1oc(C)cc(=O)c1O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Identifying chelators for metalloprotein inhibitors using a fragment-based approach. Journal of medicinal chemistry 20110127
Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives. European journal of medicinal chemistry 20090501
Properties