이름: 4-(2-Oxo-ethyl)-tetrahydro-pyran-4-carboxylic acid methyl ester
SMILES:
COC(=O)C1(CC=O)CCOCC1Molecular Processing
Molecular formula
C9H14O4
Molecular weight
186.21
Exact mass
186.0892
XLogP
0.55
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
45.18
Supplementary Information
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