Chemical ID: 6328690

Cc1cc(ccc1Cl)OC(C)C(=O)O
Chemical ID:
6328690
Name [?]:
2-(4-chloro-3-methyl-phenoxy)propanoic acid
SMILES [?]:
Cc1cc(ccc1Cl)OC(C)C(=O)O
InChi [?]:
InChI=1/C10H11ClO3/c1-6-5-8(3-4-9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,11,5,6,3,2,10,4,7,12,8,13,14,9/E:(12,13)/rA:14cCCCCCCCClOCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11ClO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.76126
Area:385.844
Solvation:-2.88483
Coulombic:-35.9486
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:214.645
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.69
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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