Name: 4-carbomethoxyphenylacetaldehyde
SMILES:
COC(=O)c1ccc(CC=O)cc1Molecular Processing
Molecular formula
C10H10O3
Molecular weight
178.19
Exact mass
178.063
XLogP
1.21
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
47.55
Supplementary Information
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