이름: p-nitrophenylacetone
SMILES:
CC(=O)Cc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C9H9NO3
Molecular weight
179.17
Exact mass
179.0582
XLogP
1.73
TPSA
60.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
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
0.222
Molar refractivity
47.48
Supplementary Information
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