Chemical ID: 6917606

c1c(cc(c(c1O)O)O)C2CC(=O)c3c(cc(cc3O2)O)O
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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