Chemical ID: 6896525

CCOC(=O)C(C)Oc1c(=O)c2ccccc2oc1c3ccc(c(c3)OC)OC
Chemical ID:
6896525
Name [?]:
ethyl 2-[2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl]oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1c(=O)c2ccccc2oc1c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C22H22O7/c1-5-27-22(24)13(2)28-21-19(23)15-8-6-7-9-16(15)29-20(21)14-10-11-17(25-3)18(12-14)26-4/h6-13H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,29,27,2,14,15,13,16,21,22,25,6,20,12,17,23,24,10,19,9,4,11,5,28,26,3,8,18/rA:29cCCOCOCCOCCOCCCCCCOCCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O7
All Atoms:51
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:7.72035
Area:589.545
Solvation:-7.01828
Coulombic:-59.8803
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.406
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.09
LogP (Chemaxon):3.31

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Descriptor Annotations

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