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Chemical ID: 4578041
Chemical ID:
4578041
Name [?]:
1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methyl-anthracene-9,10-dione
SMILES [?]:
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)OCCO)C2=O
InChi [?]:
InChI=1/C17H14O6/c1-8-4-10-14(12(19)5-8)17(22)15-11(16(10)21)6-9(7-13(15)20)23-3-2-18/h4-7,18-20H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,3,7,13,15,2,14,4,12,6,16,5,11,22,9,21,8,17,23,10,18/rA:23nCCCCCCCOCOCCCCCCOOCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;s18;s19;s20;s4s12;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O6 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.33009 |
Area: | 485.495 |
Solvation: | -7.80729 |
Coulombic: | -68.2487 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 314.289 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.52 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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