名称: (E,E)-4-ethyl-2,4-hexadienoic acid
SMILES:
C/C=C(/C=C/C(=O)O)CCMolecular Processing
Molecular formula
C8H12O2
Molecular weight
140.18
Exact mass
140.0837
XLogP
1.98
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
10
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
0.375
Molar refractivity
40.82
Supplementary Information
詳細情報を取得中…
15 件の反応に参加→