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Chemical ID: 7040156
Chemical ID:
7040156
Name [?]:
[4-[3-(2,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-methoxybenzoate
SMILES [?]:
COc1cccc(c1)C(=O)Oc2ccc(cc2OC)C=CC(=O)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C26H24O7/c1-29-19-7-5-6-18(15-19)26(28)33-23-13-9-17(14-25(23)32-4)8-12-22(27)21-11-10-20(30-2)16-24(21)31-3/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,31,19,5,6,4,20,14,26,25,21,13,16,8,28,15,7,3,27,24,22,12,29,17,9,23,10,2,32,30,18,11/rA:33nCOCCCCCCCOOCCCCCCOCCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24O7 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96441 |
Area: | 707.375 |
Solvation: | -8.71996 |
Coulombic: | -56.934 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 448.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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