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Chemical ID: 7473564
Chemical ID:
7473564
Name [?]:
(2,3-dimethylphenyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILES [?]:
Cc1cccc(c1C)OC(=O)C=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H20O4/c1-13-6-5-7-16(14(13)2)23-19(20)11-9-15-8-10-17(21-3)18(12-15)22-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,23,21,4,3,5,15,13,16,12,19,2,7,14,6,17,18,10,11,22,20,9/rA:23nCCCCCCCCOCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20O4 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.90148 |
Area: | 531.059 |
Solvation: | -5.37499 |
Coulombic: | -34.5173 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.36 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.02 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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