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Chemical ID: 6917606
Chemical ID:
6917606
Name [?]:
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-chroman-4-one
SMILES [?]:
c1c(cc(c(c1O)O)O)C2CC(=O)c3c(cc(cc3O2)O)O
InChi [?]:
InChI=1/C15H12O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-4,12,16-17,19-21H,5H2
InChi Info:
AuxInfo=1/0/N:1,3,16,18,11,2,17,15,12,6,4,10,19,14,5,21,22,13,7,9,8,20/E:(1,2)(10,11)(19,20)/rA:22cCCCCCCOOOCCCOCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O7 |
All Atoms: | 34 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 3.66194 |
Area: | 471.748 |
Solvation: | -8.13175 |
Coulombic: | -92.1413 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 304.252 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -0.71 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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