2-tert-Amylanthraquinone

CAT: 0926-FA148170-01Size: 0.025 gDry Ice: NoHazardous: No

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CAT#:0926-FA148170-01Size:0.025 g

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CAS Number

32588-54-8

Synonyms

2- (1,1-Dimethylpropyl) -9,10-anthracenedione

MDL Number

MFCD00082163

Smiles

CCC (C) (C) C1=CC2=C (C=C1) C (=O) C3=CC=CC=C3C2=O

Molecular Formula

C19H18O2

Molecular Weight

278.35 g/mol

Controlled

Chemical Information

2-tert-Amylanthraquinone

CAS Number	32588-54-8
PubChem CID	122909
IUPAC Name	2-(2-methylbutan-2-yl)anthracene-9,10-dione
Molecular Formula	C19H18O2
Molecular Weight	278.3
XLogP	5.8
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	437

SMILES

CCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H18O2/c1-4-19(2,3)12-9-10-15-16(11-12)18(21)14-8-6-5-7-13(14)17(15)20/h5-11H,4H2,1-3H3

InChIKey

WUKWGUZTPMOXOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32588-54-8

CID: 122909

Formula: C19H18O2

MW: 278.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.3
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	278.130679813
Monoisotopic Mass	278.130679813
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	437
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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