Home Other Building Blocks Benzeneacetic acid, methyl ester

Benzeneacetic acid, methyl ester

CAS No.:
101-41-7
Catalog Number:
AG0003FE
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0003FE
Chemical Name:
Benzeneacetic acid, methyl ester
CAS Number:
101-41-7
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00008453
IUPAC Name:
methyl 2-phenylacetate
InChI:
InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
CRZQGDNQQAALAY-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccccc1
EC Number:
202-940-9
UNII:
D4PDC41X96
FEMA Number:
2733
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Solvent- or temperature-controlled diastereoselective aldol reaction of methyl phenylacetate. Organic letters 20120907
The radiolabeling of proteins by the [18F]AlF method. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20120101
(R,S)-2-chlorophenoxyl pyrazolides as novel substrates for improving lipase-catalyzed hydrolytic resolution. Chirality 20120101
Changes in volatile compound composition of Antrodia camphorata during solid state fermentation. Journal of the science of food and agriculture 20111001
Small molecule inhibitors reveal Niemann-Pick C1 is essential for Ebola virus infection. Nature 20110915
Honeybees Apis mellifera can detect the scent of Mycobacterium tuberculosis. Tuberculosis (Edinburgh, Scotland) 20110701
[2,2'-Imino-diethano-lato(2-)-κO,N,O'][4-(meth-oxy-carbonyl-meth-yl)phen-yl]boron. Acta crystallographica. Section E, Structure reports online 20101001
Vapour-phase gold-surface-mediated coupling of aldehydes with methanol. Nature chemistry 20100101
Plant odor analysis of potato: response of guatemalan moth to above- and belowground potato volatiles. Journal of agricultural and food chemistry 20090708
The scent of Mycobacterium tuberculosis. Tuberculosis (Edinburgh, Scotland) 20080701
Fluoride-induced chemiluminescent decomposition of 1,2-dioxetanes bearing a phenyl moiety substituted with a methyl having an electron-withdrawing group. Chemical communications (Cambridge, England) 20030221
GRID/tetrahedral intermediate computational approach to the study of selectivity of penicillin G acylase in amide bond synthesis. Biochimica et biophysica acta 20021119
Computational and experimental studies of the effect of substituents on the singlet-triplet energy gap in phenyl(carbomethoxy)carbene. The Journal of organic chemistry 20020503
Solid-phase enolate chemistry investigated using HR-MAS NMR spectroscopy. The Journal of organic chemistry 20020125
Properties