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Chemical ID: 5756310
Chemical ID:
5756310
Name [?]:
[4-(3-benzo[1,3]dioxol-5-ylprop-2-enoyl)phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C24H18O5/c1-16-2-6-19(7-3-16)24(26)29-20-10-8-18(9-11-20)21(25)12-4-17-5-13-22-23(14-17)28-15-27-22/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,20,22,4,6,13,15,12,16,19,23,26,28,2,21,14,5,11,17,24,25,8,18,9,29,27,10/E:(2,3)(6,7)(8,9)(10,11)/rA:29nCCCCCCCCOOCCCCCCCOCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8276 |
Area: | 616.511 |
Solvation: | -4.58514 |
Coulombic: | -46.7237 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.54 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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