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Home Other Building Blocks Methyl 4-propionylbenzoate

Methyl 4-propionylbenzoate

CAS No.:
17745-40-3
Catalog Number:
AG0025C7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$182
- +
1g
95%
In Stock USA
United States
$225
- +
5g
95%
In Stock USA
United States
$788
- +
Product Description
Catalog Number:
AG0025C7
Chemical Name:
Methyl 4-propionylbenzoate
CAS Number:
17745-40-3
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD13192729
IUPAC Name:
methyl 4-propanoylbenzoate
InChI:
InChI=1S/C11H12O3/c1-3-10(12)8-4-6-9(7-5-8)11(13)14-2/h4-7H,3H2,1-2H3
InChI Key:
HJFQWZCJVDZOOO-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1)C(=O)OC
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Chemoselective synthesis of ketones and ketimines by addition of organometallic reagents to secondary amides. Nature chemistry 20120221
Properties