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75786-90-2 | 3(2H)-Furanone, 4-hydroxy-
CAS No: 75786-90-2 Catalog No: AG005IEF MDL No:MFCD24711428
Product Description
Catalog Number:
AG005IEF
Chemical Name:
3(2H)-Furanone, 4-hydroxy-
CAS Number:
75786-90-2
Molecular Formula:
C4H4O3
Molecular Weight:
100.0728
MDL Number:
MFCD24711428
IUPAC Name:
4-hydroxyfuran-3-one
InChI:
InChI=1S/C4H4O3/c5-3-1-7-2-4(3)6/h1,5H,2H2
InChI Key:
TXBANKNWILQCFG-UHFFFAOYSA-N
SMILES:
O=C1COC=C1O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.016g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.073g/mol
Monoisotopic Mass:
100.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Quorum sensing in Vibrio harveyi: probing the specificity of the LuxP binding site. | Bioorganic & medicinal chemistry letters 20050502 |
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