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Home Other Building Blocks 1H-Pyrrol-1-ylacetic acid

1H-Pyrrol-1-ylacetic acid

CAS No.:
19167-98-7
Catalog Number:
AG002FF8
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$168
- +
5g
98%
In Stock USA
United States
$817
- +
10g
98%
In Stock USA
United States
$1210
- +
25g
98%
In Stock USA
United States
$2500
- +
Product Description
Catalog Number:
AG002FF8
Chemical Name:
1H-Pyrrol-1-ylacetic acid
CAS Number:
19167-98-7
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD00955795
IUPAC Name:
2-pyrrol-1-ylacetic acid
InChI:
InChI=1S/C6H7NO2/c8-6(9)5-7-3-1-2-4-7/h1-4H,5H2,(H,8,9)
InChI Key:
CHRZYRWWZQCZBV-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cccc1
NSC Number:
50134
Properties
Complexity:
108  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
N-pyrrolylketene: a nonconjugated heteroarylketene. Organic letters 20110204
Design and synthesis of novel series of pyrrole based chemotypes and their evaluation as selective aldose reductase inhibitors. A case of bioisosterism between a carboxylic acid moiety and that of a tetrazole. Bioorganic & medicinal chemistry 20100315
HPLC-based lipophilicity of pyrrolyl-acetic acid ARIs: Relationships with biological activity. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100101
Modelling of aldose reductase inhibitory activity of pyrrol-1-yl-acetic acid derivatives by means of multivariate statistics. Medicinal chemistry (Shariqah (United Arab Emirates)) 20050701
Properties