Chemical ID: 6879756

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4
Chemical ID:
6879756
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] benzoate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4
InChi [?]:
InChI=1/C21H14O5/c1-13-9-10-16-15(12-13)18(22)20(19(25-16)17-8-5-11-24-17)26-21(23)14-6-3-2-4-7-14/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,15,22,26,14,3,4,16,7,2,21,6,5,13,8,11,10,19,9,20,17,12,18/E:(3,4)(6,7)/rA:26nCCCCCCCCOCCOCCCCOOCOCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14O5
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1165
Area:531.927
Solvation:-3.18173
Coulombic:-46.5662
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.333
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.6
LogP (Chemaxon):4.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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