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Chemical ID: 6847380
Chemical ID:
6847380
Name [?]:
3-acetonyloxy-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)C)c3ccc(c(c3)OC)OC)C
InChi [?]:
InChI=1/C22H22O6/c1-12-8-13(2)19-18(9-12)28-21(22(20(19)24)27-11-14(3)23)15-6-7-16(25-4)17(10-15)26-5/h6-10H,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,28,17,27,25,19,20,3,7,23,14,2,4,15,18,21,22,6,5,11,9,10,16,12,26,24,13,8/rA:28nCCCCCCCOCCCOOCCOCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s9;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22O6 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.72853 |
Area: | 591.037 |
Solvation: | -8.04741 |
Coulombic: | -45.4632 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.406 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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