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Chemical ID: 4676602
Chemical ID:
4676602
Name [?]:
(6-acetoxybenzofuran-3-yl) acetate
SMILES [?]:
CC(=O)Oc1ccc2c(c1)occ2OC(=O)C
InChi [?]:
InChI=1/C12H10O5/c1-7(13)16-9-3-4-10-11(5-9)15-6-12(10)17-8(2)14/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,6,7,10,12,2,15,5,8,9,13,3,16,11,4,14/rA:17nCCOOCCCCCCOCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s8d12;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10O5 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3125 |
Area: | 414.312 |
Solvation: | -3.04531 |
Coulombic: | -41.8754 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.205 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.96 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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