SMILES:
CCOC(=O)C(C#N)C(=O)CCMolecular Processing
Molecular formula
C8H11NO3
Molecular weight
169.18
Exact mass
169.0739
XLogP
0.67
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
41.03
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→