COC(=O)C1=C(C(=O)OC)CCCC1
SMILES: COC(=O)C1=C(C(=O)OC)CCCC1

Molecular Processing

Molecular formula
C10H14O4
Molecular weight
198.22
Exact mass
198.0892
XLogP
1.2
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
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
0.6
Molar refractivity
49.53

Supplementary Information

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