Nombre: 5-acetyl-3-methyl-furan-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1oc(C(C)=O)cc1CMolecular Processing
Molecular formula
C9H10O4
Molecular weight
182.17
Exact mass
182.0579
XLogP
1.58
TPSA
56.51
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
44.79
Supplementary Information
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