C1CC1C23OCC(CO2)(CO3)CO
名称: (1-cyclopropyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol
SMILES: C1CC1C23OCC(CO2)(CO3)CO

Molecular Processing

Molecular formula
C9H14O4
Molecular weight
186.21
Exact mass
186.0892
XLogP
0.11
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
1
Molar refractivity
42.83

Supplementary Information

InChIKey: GDORXRSVVFCJIT-UHFFFAOYSA-N
同義語
SCHEMBL715060GDORXRSVVFCJIT-UHFFFAOYSA-N(1-cyclopropyl-2,6,7-trioxabicyclo[2.2.2]oct-4-yl)methanol
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