CCCCOC(=O)CC(C)=O
名称: butyl acetoacetate
SMILES: CCCCOC(=O)CC(C)=O

Molecular Processing

Molecular formula
C8H14O3
Molecular weight
158.2
Exact mass
158.0943
XLogP
1.31
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
41.17

Supplementary Information

詳細情報を取得中…

18 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→