이름: methyl 3,7-dimethyl-4-nitro-6-octenoate
SMILES:
COC(=O)CC(C)C(CC=C(C)C)[N+](=O)[O-]Molecular Processing
Molecular formula
C11H19NO4
Molecular weight
229.28
Exact mass
229.1314
XLogP
2.19
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
60.63
Supplementary Information
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