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Chemical ID: 6856376
Chemical ID:
6856376
Name [?]:
[2-(4-methoxyphenyl)-7-methyl-4-oxo-chromen-3-yl] acetate
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OC(=O)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H16O5/c1-11-4-9-15-16(10-11)24-18(19(17(15)21)23-12(2)20)13-5-7-14(22-3)8-6-13/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,24,3,18,22,19,21,4,7,2,14,17,20,5,6,11,9,10,15,12,23,13,8/E:(5,6)(7,8)/rA:24nCCCCCCCOCCCOOCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;d14;s14;s9;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O5 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77318 |
Area: | 512.883 |
Solvation: | -4.0489 |
Coulombic: | -42.9996 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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