Chemical ID: 4906097

c1cc(c(cc1C2C(C(=O)c3ccc(cc3O2)O)O)O)O
Chemical ID:
4906097
Name [?]:
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-4-one
SMILES [?]:
c1cc(c(cc1C2C(C(=O)c3ccc(cc3O2)O)O)O)O
InChi [?]:
InChI=1/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H
InChi Info:
AuxInfo=1/0/N:1,13,12,2,5,15,6,14,11,3,4,16,9,8,7,18,21,20,10,19,17/rA:21cCCCCCCCCCOCCCCCCOOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s14;s8;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12O6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:5.39615
Area:455.011
Solvation:-5.97913
Coulombic:-81.6618
Bond Count [?]
All:23
Single:16
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:288.252
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:1.66
LogP (Chemaxon):1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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