Chemical ID: 5694077

COc1ccc2c(cc(=O)oc2c1)COC(=O)C=Cc3cccc(c3OC)OC
Chemical ID:
5694077
Name [?]:
(7-methoxy-2-oxo-chromen-4-yl)methyl 3-(2,3-dimethoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc2c(cc(=O)oc2c1)COC(=O)C=Cc3cccc(c3OC)OC
InChi [?]:
InChI=1/C22H20O7/c1-25-16-8-9-17-15(11-21(24)29-19(17)12-16)13-28-20(23)10-7-14-5-4-6-18(26-2)22(14)27-3/h4-12H,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,27,22,21,23,19,4,5,18,8,13,14,20,7,3,6,24,12,16,9,25,17,10,2,28,26,15,11/rA:29nCOCCCCCCCOOCCCOCOCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s7;s14;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s25;s26;s24;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O7
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.92199
Area:606.579
Solvation:-7.24249
Coulombic:-60.1421
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:396.39
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.09
LogP (Chemaxon):3.27

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Descriptor Annotations

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