名称: methyl 2-chloro-3-[4-(2-hydroxyethyl)phenyl]propanoate
SMILES:
COC(=O)C(Cl)Cc1ccc(CCO)cc1Molecular Processing
Molecular formula
C12H15ClO3
Molecular weight
242.7
Exact mass
242.071
XLogP
1.54
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
62.59
Supplementary Information
詳細情報を取得中…
5 件の反応に参加→