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Chemical ID: 7123150
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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