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Chemical ID: 4237483
Chemical ID:
4237483
Name [?]:
[3-(2-methoxyphenyl)-2-methyl-4-oxo-chromen-7-yl] furan-2-carboxylate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OC(=O)c3ccco3)c4ccccc4OC
InChi [?]:
InChI=1/C22H16O6/c1-13-20(15-6-3-4-7-17(15)25-2)21(23)16-10-9-14(12-19(16)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,23,24,18,22,25,17,8,7,19,10,2,9,21,6,26,16,11,3,4,14,5,15,27,20,12,13/rA:28nCCCCOCCCCCCOOCOCCCCOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;d14;s14;d16;s17;d18;s16s19;s3;s21;d22;s23;d24;d21s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O6 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39346 |
Area: | 578.693 |
Solvation: | -5.07387 |
Coulombic: | -51.4124 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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