9-Phenylanthracene

• CAS: 602-55-1
• Catalog Number: ACM602551
• Category: Arenes
• Molecular Weight: 254.3
• Molecular Formula: C20H14
• Synonyms: Anthracene, 9-phenyl-
• IUPAC Name: 9-phenylanthracene
• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42
• InChI: InChI=1S/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H
• InChI Key: LUBXLGUQZVKOFP-UHFFFAOYSA-N
• Boiling Point: 417.0 °C
• Melting Point: 156.0 °C
• Complexity: 292
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 210-019-8
• Exact Mass: 254.1095
• Formal Charge: 0
• Hazard Statements: H318-H410
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 6.01 (LogP)
• Monoisotopic Mass: 254.1095
• NSC Number: 90796
• RIDADR: UN 3077 9 / PGIII
• Rotatable Bond Count: 1
• Symbol: GHS05
• Topological Polar Surface Area: 0 Ų
• UNII: DC63Z5S1UP
• Vapor Pressure: 5.00e-08 mmHg
• XLogP3: 6
• XLogP3-AA: 6

Custom Q&A

What is the molecular formula of 9-Phenylanthracene?

The molecular formula of 9-Phenylanthracene is C20H14.

What is the molecular weight of 9-Phenylanthracene?

The molecular weight of 9-Phenylanthracene is 254.3 g/mol.

What is the IUPAC Name of 9-Phenylanthracene?

The IUPAC Name of 9-Phenylanthracene is 9-phenylanthracene.

What are the synonyms of 9-Phenylanthracene?

Some synonyms of 9-Phenylanthracene include 9-PHENYLANTHRACENE, 602-55-1, Anthracene, 9-phenyl, and 9-phenyl-anthracene.

What is the InChIKey of 9-Phenylanthracene?

The InChIKey of 9-Phenylanthracene is LUBXLGUQZVKOFP-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 9-Phenylanthracene?

The Canonical SMILES representation of 9-Phenylanthracene is C1=CC=C(C=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42.

What is the CAS number for 9-Phenylanthracene?

The CAS number for 9-Phenylanthracene is 602-55-1.

What is the XLogP3 value of 9-Phenylanthracene?

The XLogP3 value of 9-Phenylanthracene is 6.

How many hydrogen bond acceptors are in the molecular structure of 9-Phenylanthracene?

There are 0 hydrogen bond acceptors in the molecular structure of 9-Phenylanthracene.

Is the compound canonicalized?

Yes, the compound is canonicalized according to the data.