Home Carboxys 1-Benzylazetidine-2-carboxylic acid

1-Benzylazetidine-2-carboxylic acid

CAS No.:
18085-40-0
Catalog Number:
AG0022DX
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
93%
1 week
United States
$146
- +
Product Description
Catalog Number:
AG0022DX
Chemical Name:
1-Benzylazetidine-2-carboxylic acid
CAS Number:
18085-40-0
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD04038976
IUPAC Name:
1-benzylazetidine-2-carboxylic acid
InChI:
InChI=1S/C11H13NO2/c13-11(14)10-6-7-12(10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)
InChI Key:
WHUOCTPLGJOLFL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN1Cc1ccccc1
NSC Number:
150308
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:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties