CCC#CC(=O)OCC
Name: Ethyl 2-pentynoate
SMILES: CCC#CC(=O)OCC

Molecular Processing

Molecular formula
C7H10O2
Molecular weight
126.15
Exact mass
126.0681
XLogP
0.96
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
34.7

Supplementary Information

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