Chemical ID: 7122685

Cc1ccc(cc1C)OC(C)C(=O)[O-]
Chemical ID:
7122685
Name [?]:
2-(3,4-dimethylphenoxy)propanoate
SMILES [?]:
Cc1ccc(cc1C)OC(C)C(=O)[O-]
InChi [?]:
InChI=1/C11H14O3/c1-7-4-5-10(6-8(7)2)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,8,11,3,4,6,2,7,10,5,12,13,14,9/E:(12,13)/rA:14cCCCCCCCCOCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13O3-
All Atoms:27
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-35.0757
Area:373.236
Solvation:-44.4066
Coulombic:-8.6641
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:193.219
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.24
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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