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Chemical ID: 6664367

Chemical ID:

6664367

Name [?]:

2,3-dimethyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione

SMILES [?]:

CC1=C(CC2C(C1)C(=O)c3ccccc3C2=O)C

InChi [?]:

InChI=1/C16H16O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-6,13-14H,7-8H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,12,13,11,14,7,4,2,3,10,15,6,5,8,16,9,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18cCCCCCCCCOCCCCCCCOC/rB:s1;d2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s5s15;d16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆O₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	2

ZAP Information [?]

Total:	7.54114
Area:	398.064
Solvation:	-2.41046
Coulombic:	-16.3793

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	240.297
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.14
LogP (Chemaxon):	2.08

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value