Chemical ID: 6919193

COc1cc(c2c(c1)occ(c2=O)c3ccc(cc3O)O)O
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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