이름: 2-hydroxy-6-methyl-4-(tetrahydro-pyran-2-yloxy)-benzaldehyde
SMILES:
Cc1cc(OC2CCCCO2)cc(O)c1C=OMolecular Processing
Molecular formula
C13H16O4
Molecular weight
236.27
Exact mass
236.1049
XLogP
2.42
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
62.45
Supplementary Information
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