Chemical ID: 6146111

CCCOC(=O)COc1ccc2c(c1)occ(c2=O)c3ccccc3OC
Chemical ID:
6146111
Name [?]:
propyl 2-[3-(2-methoxyphenyl)-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
CCCOC(=O)COc1ccc2c(c1)occ(c2=O)c3ccccc3OC
InChi [?]:
InChI=1/C21H20O6/c1-3-10-25-20(22)13-26-14-8-9-16-19(11-14)27-12-17(21(16)23)15-6-4-5-7-18(15)24-2/h4-9,11-12H,3,10,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,22,23,21,24,10,11,3,14,16,7,9,20,12,17,25,13,5,18,6,19,26,4,8,15/rA:27nCCCOCOCOCCCCCCOCCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.81941
Area:600.416
Solvation:-6.19099
Coulombic:-50.0057
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.38
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.85
LogP (Chemaxon):3.73

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Descriptor Annotations

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