C=CC(C)=CC(=O)OCC
名称: 3-methyl-penta-2,4-dienoic acid ethyl ester
SMILES: C=CC(C)=CC(=O)OCC

Molecular Processing

Molecular formula
C8H12O2
Molecular weight
140.18
Exact mass
140.0837
XLogP
1.68
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
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
40.59

Supplementary Information

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