Name: 2-(4-hydroxy-2,3-dimethyl-phenyl)-cyclopropane carboxylic acid ethyl ester
SMILES:
CCOC(=O)C1CC1c1ccc(O)c(C)c1CMolecular Processing
Molecular formula
C14H18O3
Molecular weight
234.29
Exact mass
234.1256
XLogP
2.68
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.06
Supplementary Information
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