Chemical ID: 7341026

Cc1c(ccc2c1OC(=Cc3cc(c(c(c3)OC)OC)OC)C2=O)OC(C)C(=O)OC
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

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