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149554-06-3 | Benzonitrile, 4-(4-piperidinyl)-
CAS No: 149554-06-3 Catalog No: AG001LTK MDL No:MFCD03426383
Product Description
Catalog Number:
AG001LTK
Chemical Name:
Benzonitrile, 4-(4-piperidinyl)-
CAS Number:
149554-06-3
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD03426383
IUPAC Name:
4-piperidin-4-ylbenzonitrile
InChI:
InChI=1S/C12H14N2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,12,14H,5-8H2
InChI Key:
WIAZPDPJRACUDP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1CCNCC1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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