名称: dimethyl 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylate
SMILES:
COC(=O)C1=C(C(=O)OC)CC(C)=C(C)C1Molecular Processing
Molecular formula
C12H16O4
Molecular weight
224.26
Exact mass
224.1049
XLogP
1.76
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
58.67
Supplementary Information
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