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Chemical ID: 6682809
Chemical ID:
6682809
Name [?]:
2-[2-(4-nonylphenoxy)ethoxy]ethanol
SMILES [?]:
CCCCCCCCCc1ccc(cc1)OCCOCCO
InChi [?]:
InChI=1/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,11,15,12,14,21,20,18,17,10,13,22,19,16/E:(10,11)(12,13)/rA:22nCCCCCCCCCCCCCCCOCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64604 |
Area: | 611.48 |
Solvation: | -5.64095 |
Coulombic: | -33.9798 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 308.456 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.92 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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