Home Other Building Blocks 4-(Pyrrolidin-1-ylmethyl)benzoic acid

4-(Pyrrolidin-1-ylmethyl)benzoic acid

CAS No.:
159691-25-5
Catalog Number:
AG001RBC
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$47
- +
250mg
95%
In Stock USA
United States
$84
- +
Product Description
Catalog Number:
AG001RBC
Chemical Name:
4-(Pyrrolidin-1-ylmethyl)benzoic acid
CAS Number:
159691-25-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD05240081
IUPAC Name:
4-(pyrrolidin-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C12H15NO2/c14-12(15)11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2,(H,14,15)
InChI Key:
DOEIPZUTRVMWAB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CN1CCCC1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties