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Home > Aldehydes > 114646-15-0
114646-15-0 | 3-Furancarboxaldehyde, 4,5-dihydro-2-hydroxy-4-oxo-
CAS No: 114646-15-0 Catalog No: AG000EXD MDL No:
Product Description
Catalog Number:
AG000EXD
Chemical Name:
3-Furancarboxaldehyde, 4,5-dihydro-2-hydroxy-4-oxo-
CAS Number:
114646-15-0
Molecular Formula:
C5H4O4
Molecular Weight:
128.0829
IUPAC Name:
3-(hydroxymethylidene)oxolane-2,4-dione
InChI:
InChI=1S/C5H4O4/c6-1-3-4(7)2-9-5(3)8/h1,6H,2H2
InChI Key:
SFZGYLDPRKFDRT-UHFFFAOYSA-N
SMILES:
O=CC1=C(O)OCC1=O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.011g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.083g/mol
Monoisotopic Mass:
128.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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