Chemical ID: 6529733

C(CCO)CC(CO)O
Chemical ID:
6529733
Name [?]:
hexane-1,2,6-triol
SMILES [?]:
C(CCO)CC(CO)O
InChi [?]:
InChI=1/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2
InChi Info:
AuxInfo=1/0/N:1,2,5,3,7,6,4,8,9/rA:9cCCCOCCCOO/rB:s1;s2;s3;s1;s5;s6;s7;s6;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H14O3
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:3.34849
Area:315.773
Solvation:-4.54583
Coulombic:-49.2834
Bond Count [?]
All:8
Single:8
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:134.174
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-0.81
LogP (Chemaxon):-0.18

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Experimental Annotations

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Descriptor Annotations

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