2-Tert-Butylanthraquinone

• Catalog Number: ACM84479
• Product Name: 2-Tert-Butylanthraquinone
• CAS: 84-47-9
• Category: Polymer/Macromolecule
• 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
• 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
• H-Bond Acceptor: 2
• H-Bond Donor: 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

Custom Q&A

What is the PubChem CID of 2-tert-Butylanthraquinone?

The PubChem CID of 2-tert-Butylanthraquinone is 66532.

What is the molecular formula of 2-tert-Butylanthraquinone?

The molecular formula of 2-tert-Butylanthraquinone is C18H16O2.

What is the molecular weight of 2-tert-Butylanthraquinone?

The molecular weight of 2-tert-Butylanthraquinone is 264.3 g/mol.

What is the IUPAC name of 2-tert-Butylanthraquinone?

The IUPAC name of 2-tert-Butylanthraquinone is 2-tert-butylanthracene-9,10-dione.

What is the InChI of 2-tert-Butylanthraquinone?

The InChI of 2-tert-Butylanthraquinone is 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.

What is the InChIKey of 2-tert-Butylanthraquinone?

The InChIKey of 2-tert-Butylanthraquinone is YTPSFXZMJKMUJE-UHFFFAOYSA-N.

What is the canonical SMILES of 2-tert-Butylanthraquinone?

The canonical SMILES of 2-tert-Butylanthraquinone is CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O.

What is the CAS number of 2-tert-Butylanthraquinone?

The CAS number of 2-tert-Butylanthraquinone is 84-47-9.

What is the EC number of 2-tert-Butylanthraquinone?

The EC number of 2-tert-Butylanthraquinone is 201-531-2.

What is the XLogP3 value of 2-tert-Butylanthraquinone?

The XLogP3 value of 2-tert-Butylanthraquinone is 5.2.