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Home Other Building Blocks 2-Pyrrolidin-1-yl-benzoic acid

2-Pyrrolidin-1-yl-benzoic acid

CAS No.:
78648-27-8
Catalog Number:
AG003EPW
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$60
- +
5g
98%
In Stock USA
United States
$138
- +
10g
98%
In Stock USA
United States
$219
- +
25g
98%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG003EPW
Chemical Name:
2-Pyrrolidin-1-yl-benzoic acid
CAS Number:
78648-27-8
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD09035985
IUPAC Name:
2-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H13NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)
InChI Key:
SSALRORMOVCZTK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N1CCCC1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: the hydrophobic side chain influences type A subtype selectivity. Bioorganic & medicinal chemistry 20120715
Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: modifications of essential pyrrolidinone ring substituents. Bioorganic & medicinal chemistry 20030703
Properties