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

Benzene, 1-methoxy-3-methyl-

CAS No.:
100-84-5
Catalog Number:
AG00007V
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(GC)
In Stock USA
United States
$39
- +
25g
99%(GC)
In Stock USA
United States
$57
- +
100g
99%(GC)
In Stock USA
United States
$129
- +
Product Description
Catalog Number:
AG00007V
Chemical Name:
Benzene, 1-methoxy-3-methyl-
CAS Number:
100-84-5
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
MDL Number:
MFCD00008395
IUPAC Name:
1-methoxy-3-methylbenzene
InChI:
InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
InChI Key:
OSIGJGFTADMDOB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C
EC Number:
202-893-4
UNII:
UI9I3Y6WTZ
NSC Number:
6255
Properties
Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
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Chiral ammonium-capped rhodium(0) nanocatalysts: synthesis, characterization, and advances in asymmetric hydrogenation in neat water. ChemSusChem 20120109
Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy. Organic letters 20111007
Carbohydrate-derived 1,3-diphosphite ligands as chiral nanoparticle stabilizers: promising catalytic systems for asymmetric hydrogenation. ChemSusChem 20090101
Rotationally resolved electronic spectra of 2- and 3-methylanisole in the gas phase: a study of methyl group internal rotation. The journal of physical chemistry. B 20061012
Aza-cope rearrangement-mannich cyclizations for the formation of complex tricyclic amines: stereocontrolled total synthesis of (+/-)-gelsemine. Journal of the American Chemical Society 20051228
2-Cyano-4-fluoro-1-thiovalylpyrrolidine analogues as potent inhibitors of DPP-IV. Bioorganic & medicinal chemistry letters 20051201
(Z)-2-(3-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one. Acta crystallographica. Section C, Crystal structure communications 20051101
Structural and magnetic evidence concerning spin crossover in formamidinate compounds with ru2 5+ cores. Journal of the American Chemical Society 20050413
Smooth muscle relaxant action of benzyl benzoates and salicylic acid derivatives from Brickellia veronicaefolia on isolated guinea-pig ileum. Planta medica 20050401
Meisenheimer complexes bonded at carbon and at oxygen. Journal of the American Society for Mass Spectrometry 20040701
Synthesis of 3-hexahelicenol and its transformation to 3-hexahelicenylamines, diphenylphosphine, methyl carboxylate, and dimethylthiocarbamate. The Journal of organic chemistry 20030627
Synthesis and selectin-binding activity of N-deacetylsialyl Lewis X ganglioside. Carbohydrate research 20021119
An experimental and computational evaluation of the energetics of the isomeric methoxyphenylcarbenes generated in carbon atom reactions. Journal of the American Chemical Society 20020116
QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase. Journal of medicinal chemistry 19920207
Properties