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78759-42-9 | 3-Azetidinecarbonitrile, 1-methyl-2-oxo-4-phenyl-, cis-
CAS No: 78759-42-9 Catalog No: AG005DYB MDL No:
Product Description
Catalog Number:
AG005DYB
Chemical Name:
3-Azetidinecarbonitrile, 1-methyl-2-oxo-4-phenyl-, cis-
CAS Number:
78759-42-9
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
(3R,4S)-1-methyl-2-oxo-4-phenylazetidine-3-carbonitrile
InChI:
InChI=1S/C11H10N2O/c1-13-10(9(7-12)11(13)14)8-5-3-2-4-6-8/h2-6,9-10H,1H3/t9-,10+/m0/s1
InChI Key:
FZRKHYJSFURWGO-VHSXEESVSA-N
SMILES:
CN1C(=O)[C@H]([C@H]1c1ccccc1)C#N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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