Name: product
SMILES:
CC[C@@]1(C(=O)OC)Cc2cc(C(C)=O)ccc2O1Molecular Processing
Molecular formula
C14H16O4
Molecular weight
248.28
Exact mass
248.1049
XLogP
2.15
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
65.82
Supplementary Information
Details werden geladen…
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