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52480-43-0 | 4,5-Dimethylfuran-2-carbaldehyde
CAS No: 52480-43-0 Catalog No: AG003KIB MDL No:MFCD00085030
Product Description
Catalog Number:
AG003KIB
Chemical Name:
4,5-Dimethylfuran-2-carbaldehyde
CAS Number:
52480-43-0
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
MDL Number:
MFCD00085030
IUPAC Name:
4,5-dimethylfuran-2-carbaldehyde
InChI:
InChI=1S/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3
InChI Key:
JPTPEPVCVXGNJM-UHFFFAOYSA-N
SMILES:
O=Cc1oc(c(c1)C)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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