Chemical ID: 7177862

Cc1ccc(c(c1)OC(C)C(=O)O)C
Chemical ID:
7177862
Name [?]:
2-(2,5-dimethylphenoxy)propanoic acid
SMILES [?]:
Cc1ccc(c(c1)OC(C)C(=O)O)C
InChi [?]:
InChI=1/C11H14O3/c1-7-4-5-8(2)10(6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,10,3,4,7,2,5,9,6,11,12,13,8/E:(12,13)/rA:14cCCCCCCCOCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O3
All Atoms:28
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.3878
Area:370.904
Solvation:-2.88481
Coulombic:-35.579
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:194.227
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.51
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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