Chemical ID: 5652840

Cc1ccc2c(c1)occ2CC(=O)Oc3ccc(cc3)C(=O)OC
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

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Descriptor Annotations

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