Name: (R)-α-allyl-(3,4-methylenedioxy)benzyl isocyanate
SMILES:
C=CC[C@@H](N=C=O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C12H11NO3
Molecular weight
217.22
Exact mass
217.0739
XLogP
2.37
TPSA
47.89
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
58.24
Supplementary Information
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Involved in 1 reactions→