Name: hexanoyloxymethyl 4-nitrophenyl carbonate
SMILES:
CCCCCC(=O)OCOC(=O)Oc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C14H17NO7
Molecular weight
311.29
Exact mass
311.1005
XLogP
3.19
TPSA
104.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
22
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
0.429
Molar refractivity
75.31
Supplementary Information
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