Name: Tert-butyl[(1R,5S,6S)-6-(nitromethyl)bicyclo[3.2.0]hept-3-en-6-yl]acetate
SMILES:
CC(C)(C)OC(=O)C[C@@]1(C[N+](=O)[O-])C[C@H]2CC=C[C@H]21Molecular Processing
Molecular formula
C14H21NO4
Molecular weight
267.32
Exact mass
267.1471
XLogP
2.58
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
70.11
Supplementary Information
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