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Chemical ID: 7177862
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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