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2344-70-9

2344-70-9 | Benzenepropanol, α-methyl-

CAS No: 2344-70-9 Catalog No: AG002N8U MDL No:MFCD00044349

Product Description

Catalog Number:
AG002N8U
Chemical Name:
Benzenepropanol, α-methyl-
CAS Number:
2344-70-9
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD00044349
IUPAC Name:
4-phenylbutan-2-ol
InChI:
InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChI Key:
GDWRKZLROIFUML-UHFFFAOYSA-N
SMILES:
CC(CCc1ccccc1)O
EC Number:
219-055-9
NSC Number:
69076
FEMA Number:
2879

Properties

Complexity:
95  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling. The Journal of organic chemistry 20100521
Use of perfluorinated phosphines to provide thermomorphic anticancer complexes for heat-based tumor targeting. Inorganic chemistry 20100301
A Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase mutant derivative highly active and stereoselective on phenylacetone and benzylacetone. Protein engineering, design & selection : PEDS 20070201
Enhancing effect of alpha-hydroxyacids on 'in vitro' permeation across the human skin of compounds with different lipophilicity. International journal of pharmaceutics 20060511
Nonaqueous and halide-free route to crystalline BaTiO3, SrTiO3, and (Ba,Sr)TiO3 nanoparticles via a mechanism involving C-C bond formation. Journal of the American Chemical Society 20040728
Aminocyclopentadienyl ruthenium complexes as racemization catalysts for dynamic kinetic resolution of secondary alcohols at ambient temperature. The Journal of organic chemistry 20040319

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