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Home Other Building Blocks Benzene, 1-ethenyl-3-methyl-

Benzene, 1-ethenyl-3-methyl-

CAS No.:
100-80-1
Catalog Number:
AG00007Z
Molecular Formula:
C9H10
Molecular Weight:
118.1757
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97% (stabilized with TBC)
1 week
United States
$57
- +
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.078g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.179g/mol
Monoisotopic Mass:
118.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties