Название: ethyl 2,4-dihydroxyhexanoate
SMILES:
CCC(CC(C(=O)OCC)O)OMolecular Processing
Molecular formula
C8H16O4
Molecular weight
176.21
Exact mass
176.1049
XLogP
0.07
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
43.55
Supplementary Information
InChIKey: DMBHMQUMFLIOTM-UHFFFAOYSA-N
Синонимы
ethyl 2,4-dihydroxyhexanoateSCHEMBL2965180DMBHMQUMFLIOTM-UHFFFAOYSA-N
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