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Chemical ID: 6047556
Chemical ID:
6047556
Name [?]:
3-(3,4-dihydroxyphenyl)-7-hydroxy-chromen-4-one
SMILES [?]:
c1cc(c(cc1c2coc3cc(ccc3c2=O)O)O)O
InChi [?]:
InChI=1/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
InChi Info:
AuxInfo=1/0/N:1,13,14,2,5,11,8,6,12,15,7,3,4,10,16,18,20,19,17,9/rA:20nCCCCCCCCOCCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;d16;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.93012 |
Area: | 438.592 |
Solvation: | -5.03469 |
Coulombic: | -63.5263 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 270.237 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.9 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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