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

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

CAS No.:
100047-52-7
Catalog Number:
AG0000NH
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$54
- +
250mg
98%
In Stock USA
United States
$97
- +
1g
98%
In Stock USA
United States
$238
- +
5g
95%
In Stock USA
United States
$868
- +
10g
98%
In Stock USA
United States
$1500
- +
25g
98%
In Stock USA
United States
$3563
- +
Product Description
Catalog Number:
AG0000NH
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
InChI:
InChI=1S/C6H7NO2/c1-4-2-5(3-7-4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChI Key:
COMZOQAWNKVQEZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c(c1)C
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  
Literature
Title Journal
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties