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Chemical ID: 6879608
Chemical ID:
6879608
Name [?]:
[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl] acetate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)C
InChi [?]:
InChI=1/C19H16O5/c1-11-4-9-16-15(10-11)17(21)19(23-12(2)20)18(24-16)13-5-7-14(22-3)8-6-13/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,20,3,14,18,15,17,4,7,2,22,13,16,6,5,8,11,10,23,9,19,21,12/E:(5,6)(7,8)/rA:24nCCCCCCCCOCCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O5 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70865 |
Area: | 514.363 |
Solvation: | -4.15044 |
Coulombic: | -42.8752 |
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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