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Chemical ID: 7040271
Chemical ID:
7040271
Name [?]:
[4-[3-(2-ethoxyphenyl)prop-2-enoyl]phenyl] 3,4,5-trimethoxybenzoate
SMILES [?]:
CCOc1ccccc1C=CC(=O)c2ccc(cc2)OC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C27H26O7/c1-5-33-23-9-7-6-8-19(23)12-15-22(28)18-10-13-21(14-11-18)34-27(29)20-16-24(30-2)26(32-4)25(17-20)31-3/h6-17H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,34,32,2,7,6,8,5,15,19,10,16,18,11,28,24,14,9,23,17,12,4,27,25,26,21,13,22,29,33,31,3,20/E:(2,3)(10,11)(13,14)(16,17)(24,25)(30,31)/rA:34nCCOCCCCCCCCCOCCCCCCOCOCCCCCCOCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s25;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26O7 |
All Atoms: | 60 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85356 |
Area: | 738.778 |
Solvation: | -8.61588 |
Coulombic: | -57.9795 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 462.491 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.57 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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