Name: α-formylpropionic acid ethyl ester
SMILES:
CCOC(=O)C(C)C=OMolecular Processing
Molecular formula
C6H10O3
Molecular weight
130.14
Exact mass
130.063
XLogP
0.38
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
31.86
Supplementary Information
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