CCOC(=O)[C@H]1[C@@H]2CCC(=O)[C@@H]21
SMILES: CCOC(=O)[C@H]1[C@@H]2CCC(=O)[C@@H]21

Molecular Processing

Molecular formula
C9H12O3
Molecular weight
168.19
Exact mass
168.0786
XLogP
0.77
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
41.34

Supplementary Information

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