名称: ethyl 2-methyl-4-heptynoate
SMILES:
CCC#CCC(C)C(=O)OCCMolecular Processing
Molecular formula
C10H16O2
Molecular weight
168.24
Exact mass
168.115
XLogP
1.99
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
48.48
Supplementary Information
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