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Chemical ID: 5580268
Chemical ID:
5580268
Name [?]:
4,5,7-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid
SMILES [?]:
c1c(cc(c2c1C(=O)c3cc(cc(c3C2=O)O)O)O)C(=O)O
InChi [?]:
InChI=1/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,10,12,2,11,6,9,4,13,5,14,7,15,20,18,19,17,8,16,21,22/E:(21,22)/rA:22nCCCCCCCOCCCCCCCOOOOCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s5s14;d15;s13;s11;s4;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8O7 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.57819 |
Area: | 454.141 |
Solvation: | -6.77534 |
Coulombic: | -86.9842 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 300.22 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 0.66 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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