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Chemical ID: 6848120
Chemical ID:
6848120
Name [?]:
4-(4-methoxyphenoxy)butanoate
SMILES [?]:
COc1ccc(cc1)OCCCC(=O)[O-]
InChi [?]:
InChI=1/C11H14O4/c1-14-9-4-6-10(7-5-9)15-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,11,12,4,8,5,7,10,3,6,13,14,15,2,9/E:(4,5)(6,7)(12,13)/rA:15nCOCCCCCCOCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13O4- |
All Atoms: | 28 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.8252 |
Area: | 405.713 |
Solvation: | -45.968 |
Coulombic: | -12.8128 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.219 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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