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Chemical ID: 6891607
Chemical ID:
6891607
Name [?]:
[2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl] acetate
SMILES [?]:
CC(=O)Oc1c(=O)c2ccccc2oc1c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C19H16O6/c1-11(20)24-19-17(21)13-6-4-5-7-14(13)25-18(19)12-8-9-15(22-2)16(10-12)23-3/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,23,10,11,9,12,17,18,21,2,16,8,13,19,20,6,15,5,3,7,24,22,4,14/rA:25nCCOOCCOCCCCCCOCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d5s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O6 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.07108 |
Area: | 528.669 |
Solvation: | -6.14566 |
Coulombic: | -49.2608 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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