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Chemical ID: 5279823
Chemical ID:
5279823
Name [?]:
methyl 4-[[3-(2-ethoxyphenoxy)-2-methyl-4-oxo-chromen-7-yl]oxymethyl]benzoate
SMILES [?]:
CCOc1ccccc1Oc2c(oc3cc(ccc3c2=O)OCc4ccc(cc4)C(=O)OC)C
InChi [?]:
InChI=1/C27H24O7/c1-4-31-22-7-5-6-8-23(22)34-26-17(2)33-24-15-20(13-14-21(24)25(26)28)32-16-18-9-11-19(12-10-18)27(29)30-3/h5-15H,4,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,33,2,6,7,5,8,25,29,26,28,17,18,15,23,12,24,27,16,19,4,9,14,20,11,30,21,31,32,3,22,13,10/E:(9,10)(11,12)/rA:34nCCOCCCCCCOCCOCCCCCCCOOCCCCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;s23;s24;d25;s26;d27;d24s28;s27;d30;s30;s32;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24O7 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9761 |
Area: | 713.281 |
Solvation: | -6.85589 |
Coulombic: | -60.2263 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 460.475 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.35 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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