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Chemical ID: 6419188
Chemical ID:
6419188
Name [?]:
(2-acetoxy-4-formyl-phenyl) acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC(=O)C)C=O
InChi [?]:
InChI=1/C11H10O5/c1-7(13)15-10-4-3-9(6-12)5-11(10)16-8(2)14/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,7,6,9,15,2,12,8,5,10,16,3,13,4,11/rA:16nCCOOCCCCCCOCOCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s8;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10O5 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.22376 |
Area: | 403.524 |
Solvation: | -3.86433 |
Coulombic: | -41.3569 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 222.194 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.02 |
LogP (Chemaxon): | 0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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