Chemical ID: 4573208

CCC(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc3cccc(c3)OC)C
Chemical ID:
4573208
Name [?]:
[3-(3-methoxyphenoxy)-2-methyl-4-oxo-chromen-7-yl] propanoate
SMILES [?]:
CCC(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc3cccc(c3)OC)C
InChi [?]:
InChI=1/C20H18O6/c1-4-18(21)25-15-8-9-16-17(11-15)24-12(2)20(19(16)22)26-14-7-5-6-13(10-14)23-3/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,25,2,20,21,19,7,8,23,11,13,22,18,6,9,10,3,15,14,4,16,24,12,5,17/rA:26nCCCOOCCCCCCOCCCOOCCCCCCOCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s9s14;d15;s14;s17;s18;d19;s20;d21;d18s22;s22;s24;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.13847
Area:558.268
Solvation:-4.81824
Coulombic:-49.1483
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.353
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.67
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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