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157528-56-8 | 3-Pyrrolidinecarbonitrile, 1-(phenylmethyl)-, (3R)-
CAS No: 157528-56-8 Catalog No: AG001PHH MDL No:MFCD09951967
Product Description
Catalog Number:
AG001PHH
Chemical Name:
3-Pyrrolidinecarbonitrile, 1-(phenylmethyl)-, (3R)-
CAS Number:
157528-56-8
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD09951967
IUPAC Name:
(3R)-1-benzylpyrrolidine-3-carbonitrile
InChI:
InChI=1S/C12H14N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2/t12-/m0/s1
InChI Key:
RYCQUUNQHVAFSM-LBPRGKRZSA-N
SMILES:
N#C[C@@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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