名称: 4-butoxy-2-nitrobenzoic acid
SMILES:
CCCCOc1ccc(C(=O)O)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C11H13NO5
Molecular weight
239.23
Exact mass
239.0794
XLogP
2.47
TPSA
89.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
17
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
0.364
Molar refractivity
60.46
Supplementary Information
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