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Home Other Building Blocks 2(5H)-Furanone,4-methoxy-

2(5H)-Furanone,4-methoxy-

CAS No.:
69556-70-3
Catalog Number:
AG006ATH
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
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Product Description
Catalog Number:
AG006ATH
Chemical Name:
2(5H)-Furanone,4-methoxy-
CAS Number:
69556-70-3
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
MDL Number:
MFCD00071565
InChI:
InChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3
InChI Key:
VOYDEHILKLSVNN-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)OC1
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
5- and 6-membered (thio)lactones are prodrug type carbonic anhydrase inhibitors. Bioorganic & medicinal chemistry letters 20120101
Identifying the important structural elements of brominated furanones for inhibiting biofilm formation by Escherichia coli. Bioorganic & medicinal chemistry letters 20080201
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. Journal of medicinal chemistry 20050602
Properties