Name: 3,5-Dihydrobenzoic acid methyl ester
SMILES:
COC(=O)C1=CCCCC1Molecular Processing
Molecular formula
C8H12O2
Molecular weight
140.18
Exact mass
140.0837
XLogP
1.66
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
38.57
Supplementary Information
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