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Home Other Building Blocks Methyl 4-(isopropylcarbamoyl)benzoate

Methyl 4-(isopropylcarbamoyl)benzoate

CAS No.:
229648-45-7
Catalog Number:
AG002LPW
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$225
- +
10g
96%
In Stock USA
United States
$350
- +
25g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002LPW
Chemical Name:
Methyl 4-(isopropylcarbamoyl)benzoate
CAS Number:
229648-45-7
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD09418569
IUPAC Name:
methyl 4-(propan-2-ylcarbamoyl)benzoate
InChI:
InChI=1S/C12H15NO3/c1-8(2)13-11(14)9-4-6-10(7-5-9)12(15)16-3/h4-8H,1-3H3,(H,13,14)
InChI Key:
YDJNKBLBCLNXJY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)NC(C)C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Chemoselective synthesis of ketones and ketimines by addition of organometallic reagents to secondary amides. Nature chemistry 20120221
Properties