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Chemical ID: 5694077
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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