Chemical ID: 6891607

CC(=O)Oc1c(=O)c2ccccc2oc1c3ccc(c(c3)OC)OC
Chemical ID:
6891607
Name [?]:
[2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl] acetate
SMILES [?]:
CC(=O)Oc1c(=O)c2ccccc2oc1c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C19H16O6/c1-11(20)24-19-17(21)13-6-4-5-7-14(13)25-18(19)12-8-9-15(22-2)16(10-12)23-3/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,23,10,11,9,12,17,18,21,2,16,8,13,19,20,6,15,5,3,7,24,22,4,14/rA:25nCCOOCCOCCCCCCOCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d5s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O6
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.07108
Area:528.669
Solvation:-6.14566
Coulombic:-49.2608
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.327
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.3
LogP (Chemaxon):2.61

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Descriptor Annotations

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