Allylbenzene

• CAS: 300-57-2
• Catalog Number: ACM-MO-300572
• Category: Alkenes; Allyl Monomers
• Molecular Weight: 118.18 g/mol
• Molecular Formula: C9H10
• Synonyms: 3-Phenyl-1-propene
• IUPAC Name: prop-2-enylbenzene
• Canonical SMILES: C=CCC1=CC=CC=C1
• InChI: InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
• InChI Key: HJWLCRVIBGQPNF-UHFFFAOYSA-N
• Boiling Point: 155 °C
• Melting Point: 156-157 °C
• Flash Point: 33 °C
• Density: 0.892 g/ml
• Appearance: Colorless to Almost Colorless Clear Liquid
• Storage: Allylbenzene should be kept stored in a cool, dry, well-ventilated area with adequate ventilation; during use.Flammables area
• Complexity: 78
• Covalently-Bonded Unit Count: 1
• EC Number: 206-095-7
• Exact Mass: 118.078g/mol
• Heavy Atom Count: 9
• Monoisotopic Mass: 118.078g/mol
• NSC Number: 18609
• Physical State: Liquid
• Refractive Index: 1.51
• Rotatable Bond Count: 2
• Specific Gravity: 0.89
• Topological Polar Surface Area: 0A^2
• Undefined Atom Stereocenter Count: 1

Custom Q&A

What is the molecular formula of allylbenzene?

The molecular formula of allylbenzene is C9H10.

What is the molecular weight of allylbenzene?

The molecular weight of allylbenzene is 118.18 g/mol.

What is the IUPAC name of allylbenzene?

The IUPAC name of allylbenzene is prop-2-enylbenzene.

What is the InChIKey of allylbenzene?

The InChIKey of allylbenzene is HJWLCRVIBGQPNF-UHFFFAOYSA-N.

What is the canonical SMILES of allylbenzene?

The canonical SMILES of allylbenzene is C=CCC1=CC=CC=C1.

What is the CAS number of allylbenzene?

The CAS number of allylbenzene is 300-57-2.

What is the XLogP3 value of allylbenzene?

The XLogP3 value of allylbenzene is 3.2.

How many rotatable bonds does allylbenzene have?

Allylbenzene has 2 rotatable bonds.

What is the topological polar surface area of allylbenzene?

The topological polar surface area of allylbenzene is 0Ų.

How many hydrogen bond donor and acceptor counts does allylbenzene have?

Allylbenzene has 0 hydrogen bond donor and acceptor counts.