CCOC(=O)/C=C(\C)C=O
名称: ethyl-3-methyl-4-oxocrotonate
SMILES: CCOC(=O)/C=C(\C)C=O

Molecular Processing

Molecular formula
C7H10O3
Molecular weight
142.15
Exact mass
142.063
XLogP
0.69
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
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
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
36.45

Supplementary Information

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