C(CCO)CC(CO)O
CAS: 106-69-4
Nom: hexane-1,2,6-triol
SMILES: C(CCO)CC(CO)O

Molecular Processing

Molecular formula
C6H14O3
Molecular weight
134.18
Exact mass
134.0943
XLogP
-0.5
TPSA
60.69
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
34.03

Supplementary Information

InChIKey: ZWVMLYRJXORSEP-UHFFFAOYSA-N
Synonymes
1,2,6-HEXANETRIOL106-69-41,2,6-TrihydroxyhexaneDTXSID0041224W45XXM0XWENSC404957NSC-404957DTXCID8021224RefChem:71584203-424-6Hexane-1,2,6-triolMFCD00002976Hexanetriol-1,2,6EINECS 203-424-6UNII-W45XXM0XWENSC 404957BRN 1304479AI3-14311112254-74-71,6-HexanetriolHexanetriol-1,6Hexane-1,6-triol1,2,6-hexantriol1,2,6-Hexanetrio1,6-TrihydroxyhexaneHexanetriol-(1,2,6)SCHEMBL354374-01-00-02784 (Beilstein Handbook Reference)1,2,6-Hexanetriol, 96%orb3023435
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Impliqué dans 16 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→