SMILES:
O=C1C=C[C@@H](OC2CCCCO2)C1Molecular Processing
Molecular formula
C10H14O3
Molecular weight
182.22
Exact mass
182.0943
XLogP
1.43
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
47.23
Supplementary Information
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