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Chemical ID: 3966223
Chemical ID:
3966223
Name [?]:
hexane-1,2,3,4,5,6-hexaol
SMILES [?]:
C(C(C(C(C(CO)O)O)O)O)O
InChi [?]:
InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,6,2,5,3,4,12,7,11,8,10,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:12cCCCCCCOOOOOO/rB:s1;s2;s3;s4;s5;s6;s5;s4;s3;s2;s1;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H14O6 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 0.028848 |
Area: | 339.03 |
Solvation: | -8.4469 |
Coulombic: | -97.8422 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 182.172 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 6 |
XLogP: | -3.9 |
LogP (Chemaxon): | -2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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