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Chemical ID: 5789716
Chemical ID:
5789716
Name [?]:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one
SMILES [?]:
c1cc(c(cc1C2CC(=O)c3c(cc(cc3O2)O)O)O)O
InChi [?]:
InChI=1/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,5,13,15,8,6,14,3,4,12,9,7,16,11,18,21,20,19,10,17/rA:21cCCCCCCCCCOCCCCCCOOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s14;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O6 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.73255 |
Area: | 456.105 |
Solvation: | -6.67008 |
Coulombic: | -77.2914 |
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: | 0.75 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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