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Chemical ID: 6919309

Chemical ID:

6919309

Name [?]:

1,3-dihydroxy-2-methyl-anthracene-9,10-dione

SMILES [?]:

Cc1c(cc2c(c1O)C(=O)c3ccccc3C2=O)O

InChi [?]:

InChI=1/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3

InChi Info:

AuxInfo=1/0/N:1,14,13,15,12,4,2,16,11,5,3,6,7,17,9,19,8,18,10/rA:19nCCCCCCCOCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s5s16;d17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀O₄
All Atoms:	29
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	5.88658
Area:	402.29
Solvation:	-4.17066
Coulombic:	-47.6797

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	254.238
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.52
LogP (Chemaxon):	2.99

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value