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Chemical ID: 5162137
Chemical ID:
5162137
Name [?]:
4-[2-(4-methylphenoxy)ethoxy]benzoic acid
SMILES [?]:
Cc1ccc(cc1)OCCOc2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C16H16O4/c1-12-2-6-14(7-3-12)19-10-11-20-15-8-4-13(5-9-15)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,14,16,4,6,13,17,9,10,2,15,5,12,18,19,20,8,11/E:(2,3)(4,5)(6,7)(8,9)(17,18)/rA:20nCCCCCCCOCCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4748 |
Area: | 486.2 |
Solvation: | -4.6802 |
Coulombic: | -43.2041 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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