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Chemical ID: 4695622
Chemical ID:
4695622
Name [?]:
4-hexoxyphenol
SMILES [?]:
CCCCCCOc1ccc(cc1)O
InChi [?]:
InChI=1/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,10,12,9,13,6,11,8,14,7/E:(6,7)(8,9)/rA:14nCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.61244 |
Area: | 408.958 |
Solvation: | -2.61152 |
Coulombic: | -25.1411 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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