Chemical ID: 4676602

CC(=O)Oc1ccc2c(c1)occ2OC(=O)C
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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