Chemical ID: 6848120

COc1ccc(cc1)OCCCC(=O)[O-]
Chemical ID:
6848120
Name [?]:
4-(4-methoxyphenoxy)butanoate
SMILES [?]:
COc1ccc(cc1)OCCCC(=O)[O-]
InChi [?]:
InChI=1/C11H14O4/c1-14-9-4-6-10(7-5-9)15-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,11,12,4,8,5,7,10,3,6,13,14,15,2,9/E:(4,5)(6,7)(12,13)/rA:15nCOCCCCCCOCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13O4-
All Atoms:28
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-35.8252
Area:405.713
Solvation:-45.968
Coulombic:-12.8128
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.219
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.27
LogP (Chemaxon):1.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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