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Chemical ID: 7040135
Chemical ID:
7040135
Name [?]:
[4-[3-(2,5-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-phenylprop-2-enoate
SMILES [?]:
COc1ccc(c(c1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)C=Cc3ccccc3)OC
InChi [?]:
InChI=1/C27H24O6/c1-30-21-12-15-24(31-2)22(18-21)23(28)13-9-20-10-14-25(26(17-20)32-3)33-27(29)16-11-19-7-5-4-6-8-19/h4-18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,20,29,28,30,27,31,12,14,25,4,11,15,5,24,18,8,26,13,3,7,9,6,16,17,22,10,23,2,32,19,21/E:(5,6)(7,8)/rA:33nCOCCCCCCCOCCCCCCCCOCOCOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;d22;s22;w24;s25;s26;d27;s28;d29;d26s30;s6;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24O6 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95176 |
Area: | 715.963 |
Solvation: | -7.94731 |
Coulombic: | -50.0764 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 2 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 444.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.1 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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