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AA03008

100610-03-5 | Methyl 4-(butylcarbamoyl)benzoate

Packsize Purity Availability Price Discounted Price    Quantity
1g 98% In Stock US $86.00 $60.00 -   +
5g 98% In Stock US $258.00 $180.00 -   +
25g 98% In Stock US $686.00 $480.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA03008
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
InChl: 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)
InChl Key: RTOAFYYWYCMMTQ-UHFFFAOYSA-N
SMILES: CCCCNC(=O)c1ccc(cc1)C(=O)OC

 

Computed 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  

 

 

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