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Chemical ID: 6424292
Chemical ID:
6424292
Name [?]:
2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-chromen-4-one
SMILES [?]:
COc1ccc(cc1OC)c2cc(=O)c3c(c(c(c(c3o2)OC)OC)OC)O
InChi [?]:
InChI=1/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,27,23,25,5,4,7,12,6,13,3,11,8,15,16,20,17,19,18,14,28,2,9,26,22,24,21/rA:28nCOCCCCCCOCCCCOCCCCCCOOCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;d13;s13;s15;d16;s17;d18;d15s19;s11s20;s19;s22;s18;s24;s17;s26;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20O8 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.0298 |
Area: | 566.87 |
Solvation: | -10.142 |
Coulombic: | -66.1729 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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