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78964-11-1 | Proline, 5-oxo-1-(phenylmethyl)-
CAS No: 78964-11-1 Catalog No: AG005CTY MDL No:
Product Description
Catalog Number:
AG005CTY
Chemical Name:
Proline, 5-oxo-1-(phenylmethyl)-
CAS Number:
78964-11-1
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
1-benzyl-5-oxopyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c14-11-7-6-10(12(15)16)13(11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChI Key:
MOHLVDJRXGVGOM-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
NSC Number:
281027
Properties
Complexity:
284
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:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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