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Home Other Building Blocks Methyl 2-phenylbutanoate

Methyl 2-phenylbutanoate

CAS No.:
2294-71-5
Catalog Number:
AG002LLK
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
99%
1 week
United States
$219
- +
1g
99%
1 week
United States
$399
- +
5g
99%
1 week
United States
$1559
- +
Product Description
Catalog Number:
AG002LLK
Chemical Name:
Methyl 2-phenylbutanoate
CAS Number:
2294-71-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00091564
IUPAC Name:
methyl 2-phenylbutanoate
InChI:
InChI=1S/C11H14O2/c1-3-10(11(12)13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChI Key:
PPIQQNDMGXNRFA-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)C(=O)OC
EC Number:
218-934-4
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Fragrance material review on ethyl phenyl carbinyl acetate. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901
Chiral amino ether-controlled catalytic enantioselective arylthiol conjugate additions to alpha,beta-unsaturated esters and ketones: scope, structural requirements, and mechanistic implications. The Journal of organic chemistry 20020125
Properties