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Home > Other Building Blocks > 13031-04-4
13031-04-4 | 2,3-Furandione, dihydro-4,4-dimethyl-
CAS No: 13031-04-4 Catalog No: AG000UAK MDL No:MFCD00012331
Product Description
Catalog Number:
AG000UAK
Chemical Name:
2,3-Furandione, dihydro-4,4-dimethyl-
CAS Number:
13031-04-4
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD00012331
IUPAC Name:
4,4-dimethyloxolane-2,3-dione
InChI:
InChI=1S/C6H8O3/c1-6(2)3-9-5(8)4(6)7/h3H2,1-2H3
InChI Key:
HRTOQFBQOFIFEE-UHFFFAOYSA-N
SMILES:
O=C1C(=O)OCC1(C)C
EC Number:
235-891-7
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Synthesis and biological properties of new alpha-methylene-gamma-butyrolactones and alpha,beta-unsaturated delta-lactones. | European journal of medicinal chemistry 20060201 |
| Gene cloning and overexpression of two conjugated polyketone reductases, novel aldo-keto reductase family enzymes, of Candida parapsilosis. | Applied microbiology and biotechnology 20040401 |
| Interaction between ketopantolactone and chirally modified Pt investigated by attenuated total reflection IR concentration modulation spectroscopy. | Journal of the American Chemical Society 20031105 |
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