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Chemical ID: 5789186
Chemical ID:
5789186
Name [?]:
5-hydroxy-2-(4-hydroxyphenyl)-chromen-4-one
SMILES [?]:
c1cc(c2c(c1)oc(cc2=O)c3ccc(cc3)O)O
InChi [?]:
InChI=1/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16-17H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,17,14,16,9,12,15,3,10,5,8,4,18,19,11,7/E:(4,5)(6,7)/rA:19nCCCCCCOCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s9;d10;s8;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.37574 |
Area: | 423.37 |
Solvation: | -4.2085 |
Coulombic: | -47.7912 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 254.238 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.4 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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