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Chemical ID: 5581210
Chemical ID:
5581210
Name [?]:
3-(2,4-dihydroxyphenyl)-7-hydroxy-chromen-4-one
SMILES [?]:
c1cc2c(cc1O)occ(c2=O)c3ccc(cc3O)O
InChi [?]:
InChI=1/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H
InChi Info:
AuxInfo=1/0/N:15,1,14,2,17,5,9,16,6,13,3,10,18,4,11,20,7,19,12,8/rA:20nCCCCCCOOCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s3s10;d11;s10;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.40416 |
Area: | 435.759 |
Solvation: | -4.48982 |
Coulombic: | -63.5034 |
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: | 1.47 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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