이름: butyl isocyanate
SMILES:
CCCCN=C=OMolecular Processing
Molecular formula
C5H9NO
Molecular weight
99.13
Exact mass
99.0684
XLogP
1.12
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
27.9
Supplementary Information
No supplementary data available
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