名称: Isoamyl nitrate
SMILES:
CC(C)CCO[N+](=O)[O-]Molecular Processing
Molecular formula
C5H11NO3
Molecular weight
133.15
Exact mass
133.0739
XLogP
1.24
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
1
Molar refractivity
32.4
Supplementary Information
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