Chemical ID: 7123150

CC(=O)Oc1ccc(cc1OC(=O)C)C(=O)[O-]
Chemical ID:
7123150
Name [?]:
3,4-diacetoxybenzoate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC(=O)C)C(=O)[O-]
InChi [?]:
InChI=1/C11H10O6/c1-6(12)16-9-4-3-8(11(14)15)5-10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,7,6,9,2,12,8,5,10,15,3,13,16,17,4,11/E:(14,15)/rA:17nCCOOCCCCCCOCOCCOO-/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s8;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9O6-
All Atoms:26
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-35.6318
Area:409.263
Solvation:-45.8634
Coulombic:-33.7299
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.186
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.46
LogP (Chemaxon):0.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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