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Chemical ID: 6919298

Chemical ID:

6919298

Name [?]:

1,2,8-trihydroxy-3-methyl-anthracene-9,10-dione

SMILES [?]:

Cc1cc2c(c(c1O)O)C(=O)c3c(cccc3O)C2=O

InChi [?]:

InChI=1/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3

InChi Info:

AuxInfo=1/0/N:1,15,14,16,3,2,13,4,17,12,5,7,19,10,6,18,8,20,11,9/rA:20nCCCCCCCOOCOCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;s10;s12;d13;s14;d15;d12s16;s17;s4s13;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀O₅
All Atoms:	30
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	4.19976
Area:	414.567
Solvation:	-6.1644
Coulombic:	-61.6501

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	270.237
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	1.7
LogP (Chemaxon):	3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value