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Chemical ID: 5652840
Chemical ID:
5652840
Name [?]:
methyl 4-[2-(6-methylbenzofuran-3-yl)acetyl]oxybenzoate
SMILES [?]:
Cc1ccc2c(c1)occ2CC(=O)Oc3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C19H16O5/c1-12-3-8-16-14(11-23-17(16)9-12)10-18(20)24-15-6-4-13(5-7-15)19(21)22-2/h3-9,11H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,3,17,19,16,20,4,7,11,9,2,18,10,15,5,6,12,21,13,22,23,8,14/E:(4,5)(6,7)/rA:24nCCCCCCCOCCCCOOCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46208 |
Area: | 542.843 |
Solvation: | -4.109 |
Coulombic: | -44.8909 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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