Chemical ID: 6879759

Cc1ccc(cc1)C(=O)Oc2c(=O)c3cc(ccc3oc2c4ccco4)C
Chemical ID:
6879759
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2c(=O)c3cc(ccc3oc2c4ccco4)C
InChi [?]:
InChI=1/C22H16O5/c1-13-5-8-15(9-6-13)22(24)27-21-19(23)16-12-14(2)7-10-17(16)26-20(21)18-4-3-11-25-18/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,24,23,3,7,17,4,6,18,25,15,2,16,5,14,19,22,12,21,11,8,13,9,26,20,10/E:(5,6)(8,9)/rA:27nCCCCCCCCOOCCOCCCCCCOCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s23;d24;s22s25;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O5
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.802
Area:559.097
Solvation:-3.17538
Coulombic:-46.3119
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.359
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.03
LogP (Chemaxon):4.73

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Descriptor Annotations

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