C[C@H](O)[C@H](O)CCC=O
SMILES: C[C@H](O)[C@H](O)CCC=O

Molecular Processing

Molecular formula
C6H12O3
Molecular weight
132.16
Exact mass
132.0786
XLogP
-0.29
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
32.99

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→