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252051-12-0 | 3-Pyrrolidinecarboxaldehyde, 5-oxo-1-[(1R)-1-phenylethyl]-, (3R)-
CAS No: 252051-12-0 Catalog No: AG002QWV MDL No:MFCD15071739
Product Description
Catalog Number:
AG002QWV
Chemical Name:
3-Pyrrolidinecarboxaldehyde, 5-oxo-1-[(1R)-1-phenylethyl]-, (3R)-
CAS Number:
252051-12-0
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD15071739
IUPAC Name:
(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbaldehyde
InChI:
InChI=1S/C13H15NO2/c1-10(12-5-3-2-4-6-12)14-8-11(9-15)7-13(14)16/h2-6,9-11H,7-8H2,1H3/t10-,11-/m1/s1
InChI Key:
PDZTVJWNDHOJNS-GHMZBOCLSA-N
SMILES:
O=C[C@H]1CN(C(=O)C1)[C@@H](c1ccccc1)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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