이름: 2-t-butyl-5-[(E)-2-ethoxycarbonylethenyl]-1-nitrobenzene
SMILES:
CCOC(=O)/C=C/c1ccc(C(C)(C)C)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C15H19NO4
Molecular weight
277.32
Exact mass
277.1314
XLogP
3.47
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
77.46
Supplementary Information
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