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2-Tert-Butylanthraquinone

Catalog Number
ACM84479
Product Name
2-Tert-Butylanthraquinone
Structure
CAS
84-47-9
Category
Small Molecule Semiconductor Building Blocks
Synonyms
9,10-Anthracenedione, 2- (1,1-Dimethylethyl)-
IUPAC Name
2-tert-butylanthracene-9,10-dione
Molecular Weight
264.32
Molecular Formula
C18H16O2
Canonical SMILES
CC(C)(C)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3
InChI Key
YTPSFXZMJKMUJE-UHFFFAOYSA-N
Boiling Point
421.21 °C at 760 mmHg (Predicted)
Melting Point
98-100 °C(lit.)
Flash Point
157.5±22.9 °C
Purity
95%
Density
1.2±0.1 g/cm3
Appearance
Yellow crystalline powder
Complexity
418
Covalently-Bonded Unit Count
1
EC Number
201-531-2
Exact Mass
264.11503g/mol
Formal Charge
0
Heavy Atom Count
20
Monoisotopic Mass
264.11503g/mol
NSC Number
30548
Refractive Index
1.60 (Predicted)
Rotatable Bond Count
1
XLogP3
5.2
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