Home Carboxys 3-Phenylpyrrolidine-2-carboxylic acid

3-Phenylpyrrolidine-2-carboxylic acid

CAS No.:
3005-68-3
Catalog Number:
AG0037OU
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
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Product Description
Catalog Number:
AG0037OU
Chemical Name:
3-Phenylpyrrolidine-2-carboxylic acid
CAS Number:
3005-68-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD01191420
IUPAC Name:
3-phenylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H13NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)
InChI Key:
VDEMEKSASUGYHM-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCC1c1ccccc1
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:
2  
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties