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4971-56-6 | Furan-2,4(3H,5H)-dione
CAS No: 4971-56-6 Catalog No: AG003URL MDL No:MFCD00010086
Product Description
Catalog Number:
AG003URL
Chemical Name:
Furan-2,4(3H,5H)-dione
CAS Number:
4971-56-6
Molecular Formula:
C4H4O3
Molecular Weight:
100.0728
MDL Number:
MFCD00010086
IUPAC Name:
oxolane-2,4-dione
InChI:
InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1-2H2
InChI Key:
JCGNDDUYTRNOFT-UHFFFAOYSA-N
SMILES:
O=C1OCC(=O)C1
EC Number:
225-617-4
UNII:
N2B9NB89C0
Properties
Complexity:
116
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:
0
Isotope Atom Count:
0
Molecular Weight:
100.073g/mol
Monoisotopic Mass:
100.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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