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Chemical ID: 7039356
Chemical ID:
7039356
Name [?]:
[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)Oc2ccc(cc2)C(=O)C=Cc3cccc(c3)OC
InChi [?]:
InChI=1/C24H20O4/c1-17-6-3-4-9-22(17)24(26)28-20-13-11-19(12-14-20)23(25)15-10-18-7-5-8-21(16-18)27-2/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,4,5,23,3,22,24,6,20,13,15,12,16,19,26,2,21,14,11,25,7,17,8,18,9,27,10/E:(11,12)(13,14)/rA:28nCCCCCCCCOOCCCCCCCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20O4 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3842 |
Area: | 621.389 |
Solvation: | -4.15055 |
Coulombic: | -38.6471 |
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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