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Chemical ID: 5576883
Chemical ID:
5576883
Name [?]:
4-heptoxyphenol
SMILES [?]:
CCCCCCCOc1ccc(cc1)O
InChi [?]:
InChI=1/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,11,13,10,14,7,12,9,15,8/E:(7,8)(9,10)/rA:15nCCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23106 |
Area: | 433.701 |
Solvation: | -2.61145 |
Coulombic: | -25.4448 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 208.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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