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Chemical ID: 7344559
Chemical ID:
7344559
Name [?]:
7-acetonyloxy-4-(8-methoxy-2-oxo-chromen-3-yl)-8-methyl-chromen-2-one
SMILES [?]:
Cc1c(ccc2c1oc(=O)cc2c3cc4cccc(c4oc3=O)OC)OCC(=O)C
InChi [?]:
InChI=1/C23H18O7/c1-12(24)11-28-18-8-7-15-16(10-20(25)29-21(15)13(18)2)17-9-14-5-4-6-19(27-3)22(14)30-23(17)26/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:30,1,25,17,16,18,5,4,14,11,27,28,2,15,6,12,13,3,19,9,7,20,22,29,10,23,24,26,8,21/rA:30nCCCCCCCOCOCCCCCCCCCCOCOOCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s19;s24;s3;s26;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O7 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.32531 |
Area: | 612.314 |
Solvation: | -8.98255 |
Coulombic: | -56.5029 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.385 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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