이름: 3-iodobutyric acid methyl ester
SMILES:
COC(=O)CC(C)IMolecular Processing
Molecular formula
C5H9IO2
Molecular weight
228.03
Exact mass
227.9647
XLogP
1.37
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
40.12
Supplementary Information
상세 정보 불러오는 중…
1개 반응에 참여→