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Chemical ID: 6847286
Chemical ID:
6847286
Name [?]:
methyl 2-[5,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxyacetate
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)OC
InChi [?]:
InChI=1/C21H20O5/c1-12-5-7-15(8-6-12)20-21(25-11-17(22)24-4)19(23)18-14(3)9-13(2)10-16(18)26-20/h5-10H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,26,3,7,4,6,14,16,22,2,15,13,5,17,23,12,10,8,9,24,11,25,21,18/E:(5,6)(7,8)/rA:26nCCCCCCCCCCOCCCCCCOCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;s22;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20O5 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82445 |
Area: | 557.826 |
Solvation: | -4.12119 |
Coulombic: | -45.8425 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.38 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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