Chemical ID: 6833562

Cc1cccc(c1OCC(=O)[O-])C
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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