Chemical ID: 6840527

CCc1ccc(c(c1)C(=O)C)OCC(=O)[O-]
Chemical ID:
6840527
Name [?]:
2-(2-acetyl-4-ethyl-phenoxy)acetate
SMILES [?]:
CCc1ccc(c(c1)C(=O)C)OCC(=O)[O-]
InChi [?]:
InChI=1/C12H14O4/c1-3-9-4-5-11(16-7-12(14)15)10(6-9)8(2)13/h4-6H,3,7H2,1-2H3,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,11,2,4,5,8,13,9,3,7,6,14,10,15,16,12/E:(14,15)/rA:16nCCCCCCCCCOCOCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s6;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13O4-
All Atoms:29
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-38.0998
Area:407.858
Solvation:-48.2963
Coulombic:-12.2057
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.229
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.58
LogP (Chemaxon):1.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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