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144282-58-6

144282-58-6 | 3-Pyrrolidinecarboxylic acid, 2-oxo-, propyl ester

CAS No: 144282-58-6 Catalog No: AG001J85 MDL No:

Product Description

Catalog Number:
AG001J85
Chemical Name:
3-Pyrrolidinecarboxylic acid, 2-oxo-, propyl ester
CAS Number:
144282-58-6
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
propyl 2-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-2-5-12-8(11)6-3-4-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)
InChI Key:
IOCAIBPNIZBPDL-UHFFFAOYSA-N
SMILES:
CCCOC(=O)C1CCNC1=O

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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