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492-94-4 | Furil
CAS No: 492-94-4 Catalog No: AG003QPJ MDL No:MFCD00003241
Product Description
Catalog Number:
AG003QPJ
Chemical Name:
Furil
CAS Number:
492-94-4
Molecular Formula:
C10H6O4
Molecular Weight:
190.1522
MDL Number:
MFCD00003241
IUPAC Name:
1,2-bis(furan-2-yl)ethane-1,2-dione
InChI:
InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H
InChI Key:
SXPUVBFQXJHYNS-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccco1)c1ccco1
EC Number:
207-766-7
UNII:
3AFE4C3P1F
NSC Number:
5561
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.154g/mol
Monoisotopic Mass:
190.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis. | Bioorganic & medicinal chemistry 20090101 |
| 1,2-Di-2-furylethane-1,2-dione. | Acta crystallographica. Section E, Structure reports online 20080101 |
| Matrix isolation and low temperature solid state FTIR spectroscopic study of alpha-furil. | Physical chemistry chemical physics : PCCP 20060421 |
| Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety. | Journal of medicinal chemistry 20050825 |
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