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Chemical ID: 4894688
Chemical ID:
4894688
Name [?]:
[3-(2-ethoxyphenoxy)-2-methyl-4-oxo-chromen-7-yl] furan-2-carboxylate
SMILES [?]:
CCOc1ccccc1Oc2c(oc3cc(ccc3c2=O)OC(=O)c4ccco4)C
InChi [?]:
InChI=1/C23H18O7/c1-3-26-17-7-4-5-8-18(17)30-22-14(2)28-20-13-15(10-11-16(20)21(22)24)29-23(25)19-9-6-12-27-19/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,6,7,27,5,8,26,17,18,28,15,12,16,19,4,9,25,14,20,11,23,21,24,3,29,13,22,10/rA:30nCCOCCCCCCOCCOCCCCCCCOOCOCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;d23;s23;d25;s26;d27;s25s28;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O7 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45397 |
Area: | 620.73 |
Solvation: | -6.06427 |
Coulombic: | -59.6325 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.385 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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