이름: 2-(3,4-dimethoxy-5-nitrophenyl)-2-oxoethyl acetate
SMILES:
COc1cc(C(=O)COC(C)=O)cc([N+](=O)[O-])c1OCMolecular Processing
Molecular formula
C12H13NO7
Molecular weight
283.24
Exact mass
283.0692
XLogP
1.36
TPSA
104.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
67.16
Supplementary Information
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