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Chemical ID: 6919193
Chemical ID:
6919193
Name [?]:
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
SMILES [?]:
COc1cc(c2c(c1)occ(c2=O)c3ccc(cc3O)O)O
InChi [?]:
InChI=1/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,18,4,8,10,17,3,14,11,19,5,7,6,12,21,20,22,13,2,9/rA:22nCOCCCCCCOCCCOCCCCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s6s11;d12;s11;s14;d15;s16;d17;d14s18;s19;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12O6 |
All Atoms: | 34 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.78348 |
Area: | 467.41 |
Solvation: | -5.90176 |
Coulombic: | -69.0652 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 300.263 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.39 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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