Home  > 5-Methyl-1h-pyrrole-3-carboxylic acid

AA00645

100047-52-7 | 5-Methyl-1h-pyrrole-3-carboxylic acid

Packsize Purity Availability Price Discounted Price    Quantity
100mg 95% In Stock US $59.00 $41.00 -   +
250mg 98% In Stock US $110.00 $77.00 -   +
1g 95% In Stock US $270.00 $189.00 -   +
5g 95% In Stock US $942.00 $660.00 -   +
10g 98% In Stock US $1,715.00 $1,200.00 -   +
25g 98% In Stock US $4,072.00 $2,850.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA00645
Chemical Name: 5-Methyl-1h-pyrrole-3-carboxylic acid
CAS Number: 100047-52-7
Molecular Formula: C6H7NO2
Molecular Weight: 125.1253
MDL Number: MFCD09991919
IUPAC Name: 5-methyl-1H-pyrrole-3-carboxylic acid
InChl: InChI=1S/C6H7NO2/c1-4-2-5(3-7-4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChl Key: COMZOQAWNKVQEZ-UHFFFAOYSA-N
SMILES: OC(=O)c1c[nH]c(c1)C

 

Computed Properties
Complexity: 124  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 125.048g/mol
Formal Charge: 0
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0
Molecular Weight: 125.127g/mol
Monoisotopic Mass: 125.048g/mol
Rotatable Bond Count: 1  
Topological Polar Surface Area: 53.1A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.6  

 

 

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