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1018337-05-7 | 1-Piperidineacetonitrile, 4-oxo-α-phenyl-
CAS No: 1018337-05-7 Catalog No: AG0005OO MDL No:MFCD10014840
Product Description
Catalog Number:
AG0005OO
Chemical Name:
1-Piperidineacetonitrile, 4-oxo-α-phenyl-
CAS Number:
1018337-05-7
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD10014840
IUPAC Name:
2-(4-oxopiperidin-1-yl)-2-phenylacetonitrile
InChI:
InChI=1S/C13H14N2O/c14-10-13(11-4-2-1-3-5-11)15-8-6-12(16)7-9-15/h1-5,13H,6-9H2
InChI Key:
YMMYYSSKVHBKGL-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)N1CCC(=O)CC1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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