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85059-38-7 | Piperidine, 1-(2-isocyano-1-oxo-3-phenylpropyl)-
CAS No: 85059-38-7 Catalog No: AG004S9E MDL No:
Product Description
Catalog Number:
AG004S9E
Chemical Name:
Piperidine, 1-(2-isocyano-1-oxo-3-phenylpropyl)-
CAS Number:
85059-38-7
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
2-isocyano-3-phenyl-1-piperidin-1-ylpropan-1-one
InChI:
InChI=1S/C15H18N2O/c1-16-14(12-13-8-4-2-5-9-13)15(18)17-10-6-3-7-11-17/h2,4-5,8-9,14H,3,6-7,10-12H2
InChI Key:
UFZUARSQMXJQBD-UHFFFAOYSA-N
SMILES:
O=C(C(Cc1ccccc1)[N+]#[C-])N1CCCCC1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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