Name: methyl malonate
SMILES:
COC(=O)CC(=O)[O-]Molecular Processing
Molecular formula
C4H5O4-
Molecular weight
117.08
Exact mass
117.0193
XLogP
-1.7
TPSA
66.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
21.64
Supplementary Information
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