Chemical ID: 6612680

Cc1ccc(c(c1)C(=O)C)OCC(=O)O
Chemical ID:
6612680
Name [?]:
2-(2-acetyl-4-methyl-phenoxy)acetic acid
SMILES [?]:
Cc1ccc(c(c1)C(=O)C)OCC(=O)O
InChi [?]:
InChI=1/C11H12O4/c1-7-3-4-10(15-6-11(13)14)9(5-7)8(2)12/h3-5H,6H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,10,3,4,7,12,2,8,6,5,13,9,14,15,11/E:(13,14)/rA:15nCCCCCCCCOCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.08539
Area:383.868
Solvation:-5.5113
Coulombic:-39.549
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.211
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.6
LogP (Chemaxon):1.11

Name Annotations

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Descriptor Annotations

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