trans-Beta-methylstyrene

CAS

873-66-5

Catalog Number

ACM873665

Category

Alkenes

Molecular Weight

118.18

Molecular Formula

C9H10

MSDS COA Spec Sheet

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Specification

Synonyms

1-Phenylpropene

Boiling Point

175°C(lit.)

Flash Point

127°F

Density

0.911g/mL at 25°C(lit.)

Complexity

Defined Atom Stereocenter Count

Exact Mass

118.0782

Formal Charge

Hazard Statements

Xn,N

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

118.0782

RIDADR

UN 3295C 3 / PGIII

Rotatable Bond Count

Safety Description

16-26-36/37/39-61-62

Supplemental Hazard Statements

H226-H304-H315-H318-H334-H335

Symbol

GHS02,GHS05,GHS07,GHS08

Topological Polar Surface Area

0 Å²

XLogP3-AA

3.2

What is the molecular formula of trans-beta-methylstyrene?

The molecular formula of trans-beta-methylstyrene is C9H10.

What are the synonyms for trans-beta-methylstyrene?

The synonyms for trans-beta-methylstyrene are beta-Methylstyrene, 637-50-3, 873-66-5, and 1-Phenylpropene.

What is the molecular weight of trans-beta-methylstyrene?

The molecular weight of trans-beta-methylstyrene is 118.18 g/mol.

What is the IUPAC name of trans-beta-methylstyrene?

The IUPAC name of trans-beta-methylstyrene is [(E)-prop-1-enyl]benzene.

What is the InChI of trans-beta-methylstyrene?

The InChI of trans-beta-methylstyrene is InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+.

What is the InChIKey of trans-beta-methylstyrene?

The InChIKey of trans-beta-methylstyrene is QROGIFZRVHSFLM-QHHAFSJGSA-N.

What is the canonical SMILES of trans-beta-methylstyrene?

The canonical SMILES of trans-beta-methylstyrene is CC=CC1=CC=CC=C1.

What is the isomeric SMILES of trans-beta-methylstyrene?

The isomeric SMILES of trans-beta-methylstyrene is C/C=C/C1=CC=CC=C1.

What is the CAS number of trans-beta-methylstyrene?

The CAS number of trans-beta-methylstyrene is 873-66-5.

What is the XLogP3 value of trans-beta-methylstyrene?

The XLogP3 value of trans-beta-methylstyrene is 3.2.