名称: phenol
SMILES:
CCC1(C(=O)OC)Cc2cc(O)ccc2O1Molecular Processing
Molecular formula
C12H14O4
Molecular weight
222.24
Exact mass
222.0892
XLogP
1.65
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
57.48
Supplementary Information
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