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Chemical ID: 7341026
Chemical ID:
7341026
Name [?]:
methyl 2-[7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-yl]oxypropanoate
SMILES [?]:
Cc1c(ccc2c1OC(=Cc3cc(c(c(c3)OC)OC)OC)C2=O)OC(C)C(=O)OC
InChi [?]:
InChI=1/C23H24O8/c1-12-16(30-13(2)23(25)29-6)8-7-15-20(24)17(31-21(12)15)9-14-10-18(26-3)22(28-5)19(11-14)27-4/h7-11,13H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,27,18,22,20,31,5,4,10,16,12,2,26,11,6,3,9,15,13,23,7,14,28,24,29,17,21,19,30,25,8/E:(3,4)(10,11)(18,19)(26,27)/rA:31cCCCCCCCOCCCCCCCCOCOCOCCOOCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s13;s21;s6s9;d23;s3;s25;s26;s26;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O8 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.28904 |
Area: | 635.897 |
Solvation: | -8.60839 |
Coulombic: | -65.5082 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 428.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 3.34 |
LogP (Chemaxon): | 2.9 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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