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Chemical ID: 6681849
Chemical ID:
6681849
Name [?]:
3-[3-(3-hydroxypropoxy)propoxy]propan-1-ol
SMILES [?]:
C(CO)COCCCOCCCO
InChi [?]:
InChI=1/C9H20O4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h10-11H,1-9H2
InChi Info:
AuxInfo=1/0/N:1,11,7,2,12,4,10,6,8,3,13,5,9/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:13nCCOCOCCCOCCCO/rB:s1;s2;s1;s4;s5;s6;s7;s8;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H20O4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.23674 |
Area: | 427.966 |
Solvation: | -6.46242 |
Coulombic: | -47.4081 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 192.253 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.51 |
LogP (Chemaxon): | -0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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