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Atropic acid

CAS No.:
492-38-6
Catalog Number:
AG0033FD
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$113
- +
100g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0033FD
Chemical Name:
Atropic acid
CAS Number:
492-38-6
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD00046531
IUPAC Name:
2-phenylprop-2-enoic acid
InChI:
InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)
InChI Key:
ONPJWQSDZCGSQM-UHFFFAOYSA-N
SMILES:
C=C(c1ccccc1)C(=O)O
EC Number:
207-753-6
UNII:
TW16UA35S0
NSC Number:
20987
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Insights into the novel hydrolytic mechanism of a diethyl 2-phenyl-2-(2-arylacetoxy)methyl malonate ester-based microsomal triglyceride transfer protein (MTP) inhibitor. Chemical research in toxicology 20121015
(-)-(S)-Nakinadine B: first asymmetric synthesis. Chemical communications (Cambridge, England) 20120925
Methyl (E)-2-[(2-nitro-phen-oxy)meth-yl]-3-phenyl-acrylate. Acta crystallographica. Section E, Structure reports online 20120601
Two new compounds from the roots of Ilex pubescens. Natural product research 20120101
(E)-Methyl 2-[(2-formyl-6-meth-oxy-phen-oxy)meth-yl]-3-phenyl-acrylate. Acta crystallographica. Section E, Structure reports online 20120101
Rapid resolution liquid chromatography for monitoring the quality of stockpiled atropine preparations for injection. Drug testing and analysis 20120101
Phytochemicals and biological studies of plants from the genus Balanophora. Chemistry Central journal 20120101
(E)-Methyl 2-[(4-bromo-2-formyl-phen-oxy)meth-yl]-3-phenyl-acrylate. Acta crystallographica. Section E, Structure reports online 20111201
Theoretical investigation of novel carbazole-fluorene based D-π-A conjugated organic dyes as dye-sensitizer in dye-sensitized solar cells (DSCs). Journal of computational chemistry 20110601
Impurity profiling of atropine sulfate by microemulsion electrokinetic chromatography. Journal of pharmaceutical and biomedical analysis 20070727
Stability and comparative metabolism of selected felbamate metabolites and postulated fluorofelbamate metabolites by postmitochondrial suspensions. Chemical research in toxicology 20051201
Properties