이름: 2-methoxy-5-nitrobenzaldehyde methyl hemiacetal
SMILES:
COc1ccc([N+](=O)[O-])cc1C(O)OCMolecular Processing
Molecular formula
C9H11NO5
Molecular weight
213.19
Exact mass
213.0637
XLogP
1.24
TPSA
81.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
51.62
Supplementary Information
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