Nombre: methyl 5-methyl-4-nitrothiophene-2-carboxylate
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(C)s1Molecular Processing
Molecular formula
C7H7NO4S
Molecular weight
201.2
Exact mass
201.0096
XLogP
1.75
TPSA
69.44
H-bond donors
0
H-bond acceptors
5
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
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
47.05
Supplementary Information
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