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869800-24-8 | 2-Azetidinecarbonitrile, 1-[(1S)-1-phenylethyl]-, (2S)-
CAS No: 869800-24-8 Catalog No: AG004NXC MDL No:
Product Description
Catalog Number:
AG004NXC
Chemical Name:
2-Azetidinecarbonitrile, 1-[(1S)-1-phenylethyl]-, (2S)-
CAS Number:
869800-24-8
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
IUPAC Name:
(2S)-1-[(1S)-1-phenylethyl]azetidine-2-carbonitrile
InChI:
InChI=1S/C12H14N2/c1-10(11-5-3-2-4-6-11)14-8-7-12(14)9-13/h2-6,10,12H,7-8H2,1H3/t10-,12-/m0/s1
InChI Key:
CGSQUBOUEXDHKM-JQWIXIFHSA-N
SMILES:
C[C@@H](c1ccccc1)N1CC[C@H]1C#N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
2.1
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