CCC=C1Cc2c3c(c(C)c(C)c2C1=O)OC(C(=O)O)C3
SMILES: CCC=C1Cc2c3c(c(C)c(C)c2C1=O)OC(C(=O)O)C3

Molecular Processing

Molecular formula
C17H18O4
Molecular weight
286.33
Exact mass
286.1205
XLogP
2.77
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
78.08

Supplementary Information

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