CAS 100-80-1 | Benzene, 1-ethenyl-3-methyl- | CAS Number 100-80-1

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100-80-1 | Benzene, 1-ethenyl-3-methyl-

CAS No: 100-80-1 Catalog No: AG00007Z MDL No:MFCD00008617

Product Description

Catalog Number:

AG00007Z

Chemical Name:

Benzene, 1-ethenyl-3-methyl-

CAS Number:

100-80-1

Molecular Formula:

C9H10

Molecular Weight:

118.1757

MDL Number:

MFCD00008617

IUPAC Name:

1-ethenyl-3-methylbenzene

InChI:

InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3

InChI Key:

JZHGRUMIRATHIU-UHFFFAOYSA-N

SMILES:

C=Cc1cccc(c1)C

EC Number:

202-889-2

UNII:

FFK4I9430G

UN Number:

2618

Properties

Complexity:

94.2

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

118.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

118.179g/mol

Monoisotopic Mass:

118.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Metal-stabilized thiyl radicals as scaffolds for reversible alkene addition via C-S bond formation/cleavage.	Inorganic chemistry 20111017
Internal rotation of methyl group in electronically excited o- and m-ethynyltoluene: new correlation between the Hammett substituent constant σm and rotational barrier change.	The Journal of chemical physics 20110227
Preparation, physical properties, on-bead binding assay and spectroscopic reliability of 25 barcoded polystyrene-poly(ethylene glycol) graft copolymers.	Journal of the American Chemical Society 20030903