Chemical ID: 6863858

Cc1ccc(c(c1)OC(C)C(=O)[O-])C
Chemical ID:
6863858
Name [?]:
2-(2,5-dimethylphenoxy)propanoate
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)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,10,3,4,7,2,5,9,6,11,12,13,8/E:(12,13)/rA:14cCCCCCCCOCCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13O3-
All Atoms:27
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-35.2137
Area:369.369
Solvation:-44.4479
Coulombic:-8.67159
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:2.03
LogP (Chemaxon):2.81

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue