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Chemical ID: 3990098
Chemical ID:
3990098
Name [?]:
3-(2-ethoxyphenoxy)propanoic acid
SMILES [?]:
CCOc1ccccc1OCCC(=O)O
InChi [?]:
InChI=1/C11H14O4/c1-2-14-9-5-3-4-6-10(9)15-8-7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,8,12,11,4,9,13,14,15,3,10/E:(12,13)/rA:15nCCOCCCCCCOCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.67599 |
Area: | 404.108 |
Solvation: | -4.42671 |
Coulombic: | -40.9322 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 210.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.55 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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