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Chemical ID: 4557726
Chemical ID:
4557726
Name [?]:
5,6,7-trimethoxy-2-(4-methoxyphenyl)-chromen-4-one
SMILES [?]:
COc1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3OC)OC)OC
InChi [?]:
InChI=1/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,23,21,5,7,4,8,10,16,6,3,11,9,14,17,13,18,19,12,2,24,22,20,15/E:(5,6)(7,8)/rA:25nCOCCCCCCCCCOCCOCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s11;s13;s9s14;d14;s16;d17;d13s18;s19;s20;s18;s22;s17;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O6 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.92352 |
Area: | 530.788 |
Solvation: | -7.34618 |
Coulombic: | -43.8505 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 342.343 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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