Home Other Building Blocks Methyl 4-(butylcarbamoyl)benzoate

Methyl 4-(butylcarbamoyl)benzoate

CAS No.:
100610-03-5
Catalog Number:
AG0002H4
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0002H4
Chemical Name:
Methyl 4-(butylcarbamoyl)benzoate
CAS Number:
100610-03-5
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD09418666
IUPAC Name:
methyl 4-(butylcarbamoyl)benzoate
InChI:
InChI=1S/C13H17NO3/c1-3-4-9-14-12(15)10-5-7-11(8-6-10)13(16)17-2/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChI Key:
RTOAFYYWYCMMTQ-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1ccc(cc1)C(=O)OC
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties