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Chemical ID: 6833562
Chemical ID:
6833562
Name [?]:
2-(2,6-dimethylphenoxy)acetate
SMILES [?]:
Cc1cccc(c1OCC(=O)[O-])C
InChi [?]:
InChI=1/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,4,3,5,9,2,6,10,7,11,12,8/E:(1,2)(4,5)(7,8)(11,12)/rA:13nCCCCCCCOCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s6;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11O3- |
All Atoms: | 24 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.7917 |
Area: | 349.589 |
Solvation: | -44.5314 |
Coulombic: | -8.72934 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.193 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.29 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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