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1135283-23-6 | Benzenepropanenitrile, β-oxo-4-(1-piperidinyl)-
CAS No: 1135283-23-6 Catalog No: AG0008W3 MDL No:MFCD12025857
Product Description
Catalog Number:
AG0008W3
Chemical Name:
Benzenepropanenitrile, β-oxo-4-(1-piperidinyl)-
CAS Number:
1135283-23-6
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
MDL Number:
MFCD12025857
IUPAC Name:
3-oxo-3-(4-piperidin-1-ylphenyl)propanenitrile
InChI:
InChI=1S/C14H16N2O/c15-9-8-14(17)12-4-6-13(7-5-12)16-10-2-1-3-11-16/h4-7H,1-3,8,10-11H2
InChI Key:
TZXKQUBDWIBMLU-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1)N1CCCCC1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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