이름: 3-amino-2-methylacrolein
SMILES:
CC(C=O)=CNMolecular Processing
Molecular formula
C4H7NO
Molecular weight
85.11
Exact mass
85.0528
XLogP
0.05
TPSA
43.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
6
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
0.25
Molar refractivity
24.01
Supplementary Information
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