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100610-03-5,MFCD09418666
Catalog No.:AA0002EC
100610-03-5 | Methyl 4-(butylcarbamoyl)benzoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$86.00   $60.00
- +
5g
98%
in stock  
$258.00   $180.00
- +
25g
98%
in stock  
$762.00   $534.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0002EC
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
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  

Synonyms
 
Methyl 4-(butylcarbamoyl)benzoate 
100610-03-5 
AJ-59716 
CJ-13630 
4-(Butylcarbamoyl)benzoic acid methyl ester 
AX8243339 
TC-103068 
B-8449 
Benzoic acid, 4-[(butylamino)carbonyl]-, methyl ester 
Methyl4-(butylcarbamoyl)benzoate 
C13H17NO3 
ACMC-2097r9 
CTK8A8980 
DTXSID10589376 
0234AA 
ANW-14323 
MFCD09418666 
ZINC10454596 
AKOS003564159 
Literature
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