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Chemical ID: 4906097
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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