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Chemical ID: 4237199
Chemical ID:
4237199
Name [?]:
[3-(2-methoxyphenoxy)-2-methyl-4-oxo-chromen-7-yl] furan-2-carboxylate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OC(=O)c3ccco3)Oc4ccccc4OC
InChi [?]:
InChI=1/C22H16O7/c1-13-21(29-17-7-4-3-6-16(17)25-2)20(23)15-10-9-14(12-19(15)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,25,24,18,26,23,17,8,7,19,10,2,9,6,27,22,16,11,4,3,14,5,15,28,20,12,13,21/rA:29nCCCCOCCCCCCOOCOCCCCOOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;d14;s14;d16;s17;d18;s16s19;s3;s21;s22;d23;s24;d25;d22s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O7 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58716 |
Area: | 591.892 |
Solvation: | -6.21012 |
Coulombic: | -59.3347 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.358 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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