Chemical ID: 5726443

COc1cccc(c1)C(=O)OCc2cc(=O)oc3c2ccc(c3)OC
Chemical ID:
5726443
Name [?]:
(7-methoxy-2-oxo-chromen-4-yl)methyl 3-methoxybenzoate
SMILES [?]:
COc1cccc(c1)C(=O)OCc2cc(=O)oc3c2ccc(c3)OC
InChi [?]:
InChI=1/C19H16O6/c1-22-14-5-3-4-12(8-14)19(21)24-11-13-9-18(20)25-17-10-15(23-2)6-7-16(13)17/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,5,6,4,21,20,8,14,23,12,7,13,3,22,19,18,15,9,16,10,2,24,11,17/rA:25nCOCCCCCCCOOCCCCOOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;s15;s17;s13s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.22091
Area:552.351
Solvation:-5.58788
Coulombic:-52.7826
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:340.327
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.17
LogP (Chemaxon):2.93

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Descriptor Annotations

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