名称: 2S4-pyrol pyrrolidin-2-one
SMILES:
O=C1CCCN1.OC1=CCOC=C1Molecular Processing
Molecular formula
C9H13NO3
Molecular weight
183.21
Exact mass
183.0895
XLogP
0.87
TPSA
58.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
48.05
Supplementary Information
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