Chemical ID: 6891610

CC(C)C(=O)Oc1c(=O)c2ccccc2oc1c3ccc(c(c3)OC)OC
Chemical ID:
6891610
Name [?]:
[2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl] 2-methylpropanoate
SMILES [?]:
CC(C)C(=O)Oc1c(=O)c2ccccc2oc1c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H20O6/c1-12(2)21(23)27-20-18(22)14-7-5-6-8-15(14)26-19(20)13-9-10-16(24-3)17(11-13)25-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,27,25,12,13,11,14,19,20,23,2,18,10,15,21,22,8,17,7,4,9,5,26,24,16,6/E:(1,2)/rA:27nCCCCOOCCOCCCCCCOCCCCCCCOCOC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d7s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O6
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.92161
Area:554.333
Solvation:-5.9367
Coulombic:-50.7191
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.38
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.85
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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