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Chemical ID: 4402893
Chemical ID:
4402893
Name [?]:
[5-methoxy-2-[3-(p-tolyl)prop-2-enoyl]phenyl] benzoate
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)c2ccc(cc2OC(=O)c3ccccc3)OC
InChi [?]:
InChI=1/C24H20O4/c1-17-8-10-18(11-9-17)12-15-22(25)21-14-13-20(27-2)16-23(21)28-24(26)19-6-4-3-5-7-19/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,24,23,25,22,26,3,7,4,6,8,14,13,9,16,2,5,21,15,12,10,17,19,11,20,27,18/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCCCCCCCCCOCCCCCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s15;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87253 |
Area: | 577.408 |
Solvation: | -4.56267 |
Coulombic: | -37.3936 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 372.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.7 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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