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Chemical ID: 7310702
Chemical ID:
7310702
Name [?]:
3-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1OC)C=CC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H22O6/c1-22-16-9-7-13(10-17(16)23-2)6-8-15(21)14-11-18(24-3)20(26-5)19(12-14)25-4/h6-12H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,22,26,24,11,5,12,4,7,20,16,6,15,13,3,8,19,17,18,14,2,9,21,25,23/E:(3,4)(11,12)(18,19)(24,25)/rA:26nCOCCCCCCOCCCCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s17;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22O6 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.46177 |
Area: | 588.28 |
Solvation: | -10.2452 |
Coulombic: | -43.4314 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 358.385 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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