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Chemical ID: 7175768
Chemical ID:
7175768
Name [?]:
2-(2-acetyl-4-methyl-phenoxy)acetate
SMILES [?]:
Cc1ccc(c(c1)C(=O)C)OCC(=O)[O-]
InChi [?]:
InChI=1/C11H12O4/c1-7-3-4-10(15-6-11(13)14)9(5-7)8(2)12/h3-5H,6H2,1-2H3,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,10,3,4,7,12,2,8,6,5,13,9,14,15,11/E:(13,14)/rA:15nCCCCCCCCOCOCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11O4- |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -38.7982 |
Area: | 381.723 |
Solvation: | -48.3413 |
Coulombic: | -11.8598 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.203 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.12 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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