Home Other Building Blocks 3-Pyrrolidin-1-yl-benzoic acid

3-Pyrrolidin-1-yl-benzoic acid

CAS No.:
72548-79-9
Catalog Number:
AG003HZR
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$50
- +
1g
97%
In Stock USA
United States
$87
- +
5g
97%
In Stock USA
United States
$280
- +
10g
97%
In Stock USA
United States
$490
- +
Product Description
Catalog Number:
AG003HZR
Chemical Name:
3-Pyrrolidin-1-yl-benzoic acid
CAS Number:
72548-79-9
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD03426724
IUPAC Name:
3-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H13NO2/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,13,14)
InChI Key:
HRVWGEKZONYEMK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)N1CCCC1
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:
3.1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties