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Chemical ID: 6612680
Chemical ID:
6612680
Name [?]:
2-(2-acetyl-4-methyl-phenoxy)acetic acid
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)
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: | C11H12O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.08539 |
Area: | 383.868 |
Solvation: | -5.5113 |
Coulombic: | -39.549 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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