Chemical ID: 6879757

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4C
Chemical ID:
6879757
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 2-methylbenzoate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4C
InChi [?]:
InChI=1/C22H16O5/c1-13-9-10-17-16(12-13)19(23)21(20(26-17)18-8-5-11-25-18)27-22(24)15-7-4-3-6-14(15)2/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,24,23,15,25,22,14,3,4,16,7,2,26,21,6,5,13,8,11,10,19,9,20,17,12,18/rA:27nCCCCCCCCOCCOCCCCOOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O5
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4937
Area:544.491
Solvation:-3.11855
Coulombic:-46.495
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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