Name: α-ethyl-α-methyl-dihydrocinnamic acid
SMILES:
CCC(C)(Cc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C12H16O2
Molecular weight
192.26
Exact mass
192.115
XLogP
2.73
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
56.18
Supplementary Information
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