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40611-76-5,MFCD00968364
Catalog No.:AA00CL89
40611-76-5 | 5-Methyl-1h-pyrrole-3-carboxylic acid methyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$804.00   $563.00
- +
5g
95%
in stock  
$2,983.00  Inquire $2,088.00
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00CL89
Chemical Name:
5-Methyl-1h-pyrrole-3-carboxylic acid methyl ester
CAS Number:
40611-76-5
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD00968364
IUPAC Name:
methyl 5-methyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C7H9NO2/c1-5-3-6(4-8-5)7(9)10-2/h3-4,8H,1-2H3
InChI Key:
RGLRQDCBEOTJOG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c(c1)C
Properties
Computed Properties
 
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
Methyl 5-methyl-1H-pyrrole-3-carboxylate 
40611-76-5 
FT-0766166 
Z-9232 
F9994-5219 
CID3831101 
5-Methyl-1H-pyrrole-3-carboxylic acid methyl ester 
1H-Pyrrole-3-carboxylic acid, 5-methyl-, methyl ester 
AC1MYFOB 
SCHEMBL77311 
RGLRQDCBEOTJOG-UHFFFAOYSA-N 
ZINC5378939 
AKOS006352507 
DA-17763 
Literature
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