Home Carboxys methyl 5-oxo-2-phenylpyrrolidine-2-carboxylate

methyl 5-oxo-2-phenylpyrrolidine-2-carboxylate

CAS No.:
1005758-94-0
Catalog Number:
AG01BDI6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG01BDI6
Chemical Name:
methyl 5-oxo-2-phenylpyrrolidine-2-carboxylate
CAS Number:
1005758-94-0
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD24603653
IUPAC Name:
methyl 5-oxo-2-phenylpyrrolidine-2-carboxylate
InChI:
InChI=1S/C12H13NO3/c1-16-11(15)12(8-7-10(14)13-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)
InChI Key:
HLOOCRWCJLJVDH-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)N1)c1ccccc1
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties