Name: 5-hydroxy-pent-2-ynoic acid ethyl ester
SMILES:
CCOC(=O)C#CCCOMolecular Processing
Molecular formula
C7H10O3
Molecular weight
142.15
Exact mass
142.063
XLogP
-0.06
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
36.11
Supplementary Information
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Involved in 2 reactions→